Search results for: '201653-76-1'

: Trifluoroacetic acid
989 Citations

Cas Number: 76-05-1 EC Number: 200-929-3

Formula: CF₃COOH

Molecular weight: 114.02

Synonyms: Trifluoroacetic acid|76-05-1|Perfluoroacetic acid|Trifluoroethanoic acid|Trifluoracetic acid|2,2,2-t...

SMILES: C(=O)(C(F)(F)F)O

InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N

InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

Product No.
Description
Grade & Purity (?)

T103296
Trifluoroacetic acid
| Pricing Close

: tert-butyl 8-oxo-1-azaspiro[4.5]decane-1-carboxylate
Cas Number: 1211582-76-1 EC Number: 840-899-4

Formula: C₁₄H₂₃NO₃

Molecular weight: 253.34

Synonyms: 1-Boc-1-azaspiro[4.5]decan-8-one | AS-51849 | 1211582-76-1 | EN300-6732705 | PB38680 | SB21022 | 1-B...

SMILES: CC(C)(C)OC(=O)N1CCCC12CCC(=O)CC2

InChIKey: MIZQULFRTFUAHQ-UHFFFAOYSA-N

InChI: InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-10-4-7-14(15)8-5-11(16)6-9-14/h4-10H2,1-3H3

Product No.
Description
Grade & Purity (?)

T627420
tert-butyl 8-oxo-1-azaspiro[4.5]decane-1-carboxylate
- ≥97%
| Pricing Close

: 1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid
Cas Number: 1011479-76-7

Formula: C₁₂H₁₉NO₆

Molecular weight: 273.285

Synonyms: 1011479-76-7|1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid|AZETIDINE-1,3,3...

SMILES: CCOC(=O)C1(CN(C1)C(=O)OC(C)(C)C)C(=O)O

InChIKey: RCWFRIPIIZSBEJ-UHFFFAOYSA-N

InChI: InChI=1S/C12H19NO6/c1-5-18-9(16)12(8(14)15)6-13(7-12)10(17)19-11(2,3)4/h5-7H2,1-4H3,(H,14,15)

Product No.
Description
Grade & Purity (?)

T171646
1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid
- ≥97%
| Pricing Close

: 2,3-Dimethyl-1-propylimidazolium Bis(trifluoromethanesulfonyl)imide
Cas Number: 169051-76-7

Formula: C₁₀H₁₅F₆N₃O₄S₂

Molecular weight: 419.36

Synonyms: 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide [DMPIIm] | 2,3-dimethyl-1-propyl-...

SMILES: CCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey: XOZHIVUWCICHSQ-UHFFFAOYSA-N

InChI: InChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1

Product No.
Description
Grade & Purity (?)

D154828
2,3-Dimethyl-1-propylimidazolium Bis(trifluoromethanesulfonyl)imide
- ≥98%(T)
| Pricing Close

: 1-(2,2-difluoroethyl)azetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
Cas Number: 2102412-76-8

Formula: C9H12F8N2O4

Synonyms: 2102412-76-8 | 1-(2,2-difluoroethyl)azetidin-3-amine | bis(trifluoroacetic acid) | 1-(2,2-Difluoroet...

SMILES: C1C(CN1CC(F)F)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChIKey: QABCMBMGPNRWRJ-UHFFFAOYSA-N

InChI: InChI=1S/C5H10F2N2.2C2HF3O2/c6-5(7)3-9-1-4(8)2-9;2*3-2(4,5)1(6)7/h4-5H,1-3,8H2;2*(H,6,7)

Product No.
Description
Grade & Purity (?)

A631656
1-(2,2-difluoroethyl)azetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
- ≥97%
| Pricing Close

: 1-Chloro-2,4-bis(trifluoromethyl)benzene
Cas Number: 327-76-4

Formula: C₈H₃ClF₆

Molecular weight: 248.56

Synonyms: 327-76-4|1-chloro-2,4-bis(trifluoromethyl)benzene|2,4-Bis(trifluoromethyl)chlorobenzene|1,3-bis(trif...

SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)Cl

InChIKey: XIVDTLKMHDHQCB-UHFFFAOYSA-N

InChI: InChI=1S/C8H3ClF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H

Product No.
Description
Grade & Purity (?)

C134923
1-Chloro-2,4-bis(trifluoromethyl)benzene
- ≥97%
| Pricing Close

: 3-(4-Bromophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
Cas Number: 331989-76-5

Formula: C₁₅H₁₁BrN₂O₂

Molecular weight: 331.2

Synonyms: 3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole|331989-76-5|CHEMBL3752087|DTXSID70355034|MFCD...

SMILES: COC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Br

InChIKey: PWXVKWQJAHTEJE-UHFFFAOYSA-N

InChI: InChI=1S/C15H11BrN2O2/c1-19-13-8-4-11(5-9-13)15-17-14(18-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3

Product No.
Description
Grade & Purity (?)

B183767
3-(4-Bromophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
- ≥98%
| Pricing Close

: 4-((tert-Butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid
Cas Number: 863304-76-1

Formula: C₁₄H₂₃NO₄

Molecular weight: 269.341

Synonyms: 863304-76-1|4-((tert-Butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid|4-[(2-methylpropan-...

SMILES: CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)C(=O)O

InChIKey: PIRWVWMHESZXMT-UHFFFAOYSA-N

InChI: InChI=1S/C14H23NO4/c1-12(2,3)19-11(18)15-14-7-4-13(5-8-14,6-9-14)10(16)17/h4-9H2,1-3H3,(H,15,18)(H,16,17)

Product No.
Description
Grade & Purity (?)

T177717
4-((tert-Butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid
- ≥97%
| Pricing Close

: (R)-1-Methoxypropan-2-amine hydrochloride
Cas Number: 626220-76-6

Formula: C₄H₁₂ClNO

Molecular weight: 125.6

Synonyms: (R)-1-Methoxypropan-2-amine hydrochloride|626220-76-6|(2R)-1-methoxypropan-2-amine hydrochloride|(2R...

SMILES: CC(COC)N.Cl

InChIKey: RVDUOVVHQKMQLM-PGMHMLKASA-N

InChI: InChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H/t4-;/m1./s1

Product No.
Description
Grade & Purity (?)

R194265
(R)-1-Methoxypropan-2-amine hydrochloride
- ≥95%
| Pricing Close

: 1-[(benzyloxy)carbonyl]-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid
Cas Number: 1027511-76-7

Formula: C₁₈H₂₄N₂O₆

Molecular weight: 364.39

Synonyms: 1027511-76-7 | 1-((Benzyloxy)carbonyl)-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid |...

SMILES: CC(C)(C)OC(=O)NC1(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChIKey: YNGVGDISDWWFCT-UHFFFAOYSA-N

InChI: InChI=1S/C18H24N2O6/c1-17(2,3)26-15(23)19-18(14(21)22)9-10-20(12-18)16(24)25-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)(H,21,22)

Product No.
Description
Grade & Purity (?)

P626578
1-[(benzyloxy)carbonyl]-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid
- ≥97%
| Pricing Close

: Flibanserin Hydrochloride
Cas Number: 147359-76-0

Formula: C₂₀H₂₂ClF₃N₄O

Molecular weight: 426.86

Synonyms: Flibanserin hydrochloride|147359-76-0|Flibanserin HCl|Flibaserin|Flibanserin hydrochloride [MI]|Flib...

SMILES: C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.Cl

InChIKey: XGAGFLQFMFCIHZ-UHFFFAOYSA-N

InChI: InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H

Product No.
Description
Grade & Purity (?)

F302923
Flibanserin Hydrochloride
- ≥95%
| Pricing Close

: 3-boc-3-azabicyclo[3.1.0]hexane-1-methanol
Cas Number: 161152-76-7

Formula: C₁₁H₁₉NO₃

Molecular weight: 213.277

Synonyms: 161152-76-7|3-BOC-3-AZABICYCLO[3.1.0]HEXANE-1-METHANOL|tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1...

SMILES: CC(C)(C)OC(=O)N1CC2CC2(C1)CO

InChIKey: BTWDGFQQIGGAPU-UHFFFAOYSA-N

InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-5-8-4-11(8,6-12)7-13/h8,13H,4-7H2,1-3H3

Product No.
Description
Grade & Purity (?)

B174610
3-boc-3-azabicyclo[3.1.0]hexane-1-methanol
- ≥97%
| Pricing Close

: 4-(4-Ethylpiperazin-1-yl)benzaldehyde
Cas Number: 197638-76-9

Formula: C₁₃H₁₈N₂O

Molecular weight: 218.3

Synonyms: 4-(4-ethylpiperazin-1-yl)benzaldehyde|197638-76-9|Benzaldehyde, 4-(4-ethyl-1-piperazinyl)-|4-(4-ethy...

SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)C=O

InChIKey: UXVDOPUAJVRFDG-UHFFFAOYSA-N

InChI: InChI=1S/C13H18N2O/c1-2-14-7-9-15(10-8-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10H2,1H3

Product No.
Description
Grade & Purity (?)

E182487
4-(4-Ethylpiperazin-1-yl)benzaldehyde
- ≥98%
| Pricing Close

: 4-[(3S)-1-tert-butoxycarbonyl-3-piperidyl]benzoic acid
Cas Number: 1217612-76-4

Formula: C₁₇H₂₃NO₄

Molecular weight: 305.37

Synonyms: (S)-4-(1-(tert-Butoxycarbonyl)piperidin-3-yl)benzoic acid | 1217612-76-4 | 4-[(3S)-1-[(2-Methylpropa...

SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)C(=O)O

InChIKey: KRTMMQOFFHMEON-CQSZACIVSA-N

InChI: InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-4-5-14(11-18)12-6-8-13(9-7-12)15(19)20/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,20)/t14-/m1/s1

Product No.
Description
Grade & Purity (?)

B627474
4-[(3S)-1-tert-butoxycarbonyl-3-piperidyl]benzoic acid
- ≥97%
| Pricing Close

: 1-tert-butoxycarbonyl-2-methyl-pyrrolidine-3-carboxylic acid
Cas Number: 1507389-76-5 EC Number: 886-334-5

Formula: C₁₁H₁₉NO₄

Molecular weight: 229.27

Synonyms: AS-71623 | (2R,3R)-1-Boc-2-methylpyrrolidine-3-carboxylic Acid | (2S,3R)-1-Boc-2-methylpyrrolidine-3...

SMILES: CC1C(CCN1C(=O)OC(C)(C)C)C(=O)O

InChIKey: WHYRSTZRPZXWFG-UHFFFAOYSA-N

InChI: InChI=1S/C11H19NO4/c1-7-8(9(13)14)5-6-12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)

Product No.
Description
Grade & Purity (?)

T629471
1-tert-butoxycarbonyl-2-methyl-pyrrolidine-3-carboxylic acid
- ≥97%
| Pricing Close

: SSR-103800, Inhibitor of GlyT1
Cas Number: 1508339-76-1

Synonyms: GTPL4778 | N-[(S)-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-phenylmethyl]-2,6-dichloro-3-(trifluoromethyl...

SMILES: C1CN2CCC1[C@@H](C2)[C@@H](C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4Cl)C(F)(F)F)Cl

InChIKey: VUBUDJCRCAHMBH-FOIQADDNSA-N

InChI: InChI=1S/C22H21Cl2F3N2O/c23-17-7-6-16(22(25,26)27)19(24)18(17)21(30)28-20(14-4-2-1-3-5-14)15-12-29-10-8-13(15)9-11-29/h1-7,13,15,20H,8-12H2,(H,28,30)/t15-,20-/m1/s1

Product No.
Description
Grade & Purity (?)

S613716
SSR-103800, Inhibitor of GlyT1
| Pricing Close

: 1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Cas Number: 217073-76-2

Formula: C₁₁H₉FN₂O₂

Molecular weight: 220.205

Synonyms: 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid|217073-76-2|1-(4-fluorophenyl)-5-methylpyr...

SMILES: CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)O

InChIKey: KBQWFOMDKNVSAD-UHFFFAOYSA-N

InChI: InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)

Product No.
Description
Grade & Purity (?)

F168644
1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
| Pricing Close

: JNJ-67856633, Inhibitor of Janus kinase 2;Inhibitor of MALT1 paracaspase
Cas Number: 2230273-76-2(DMSO)

Formula: C₂₀H₁₁F₆N₅O₂

Molecular weight: 467.32

Synonyms: safimaltib|JNJ-67856633|2230273-76-2|UNII-L9790S42AI|L9790S42AI|1-(1-Oxo-1,2-dihydroisoquinolin-5-yl...

SMILES: C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=NC=C4)C(F)(F)F)C(F)(F)F

InChIKey: APWRZPQBPCAXFP-UHFFFAOYSA-N

InChI: InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)

Product No.
Description
Grade & Purity (?)

J580427
JNJ-67856633, Inhibitor of Janus kinase 2;Inhibitor of MALT1 paracaspase
- 10mM in DMSO
| Pricing Close

: methyl trans-4-formylcyclohexanecarboxylate
Cas Number: 54274-80-5

Formula: C₉H₁₄O₃

Molecular weight: 170.208

Synonyms: 54274-80-5|(1r,4r)-methyl 4-formylcyclohexanecarboxylate|37942-76-0|methyl 4-formylcyclohexanecarbox...

SMILES: COC(=O)C1CCC(CC1)C=O

InChIKey: LARSGJZNVQJRMD-UHFFFAOYSA-N

InChI: InChI=1S/C9H14O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h6-8H,2-5H2,1H3

Product No.
Description
Grade & Purity (?)

M176738
methyl trans-4-formylcyclohexanecarboxylate
- ≥97%
| Pricing Close

: 5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
Cas Number: 957312-76-4

Formula: C₁₂H₁₂N₂O₃

Molecular weight: 232.2

Synonyms: 957312-76-4|5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid|5-(4-methoxyphenyl)-1-methylp...

SMILES: CN1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)OC

InChIKey: SMMCMCIJHBQWLN-UHFFFAOYSA-N

InChI: InChI=1S/C12H12N2O3/c1-14-11(7-10(13-14)12(15)16)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,15,16)

Product No.
Description
Grade & Purity (?)

M188858
5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
- ≥98%
| Pricing Close

: tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate
Cas Number: 1466514-76-0

Formula: C₉H₁₅F₂NO₂

Molecular weight: 207.22

Synonyms: tert-Butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate | 1466514-76-0 | SCHEMBL15335051 | MFCD2...

SMILES: CC(C)(C)OC(=O)N1CC(C1)(CF)F

InChIKey: LIRXHHZHOTUWNP-UHFFFAOYSA-N

InChI: InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6H2,1-3H3

Product No.
Description
Grade & Purity (?)

T629370
tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate
- ≥97%
| Pricing Close

: 1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Cas Number: 1000801-76-2

Formula: C₁₃H₂₃BN₂O₃

Molecular weight: 266.14

Synonyms: 1000801-76-2|1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|1-(3-me...

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCCOC

InChIKey: DTOZABIUQZZUAV-UHFFFAOYSA-N

InChI: InChI=1S/C13H23BN2O3/c1-12(2)13(3,4)19-14(18-12)11-9-15-16(10-11)7-6-8-17-5/h9-10H,6-8H2,1-5H3

Product No.
Description
Grade & Purity (?)

M189254
1-(3-Methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- ≥95%
| Pricing Close

: 1-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
Cas Number: 883986-76-3

Formula: C₈H₉N₃

Molecular weight: 147.181

Synonyms: 883986-76-3|1-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-5-AMINE|1-methylpyrrolo[2,3-b]pyridin-5-amine|5-AMINO-...

SMILES: CN1C=CC2=CC(=CN=C21)N

InChIKey: MPOYMIHLKYRVQC-UHFFFAOYSA-N

InChI: InChI=1S/C8H9N3/c1-11-3-2-6-4-7(9)5-10-8(6)11/h2-5H,9H2,1H3

Product No.
Description
Grade & Purity (?)

M177916
1-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
- ≥97%
| Pricing Close

: CPI-169
Cas Number: 1450655-76-1

Formula: C₂₇H₃₆N₄O₅S

Molecular weight: 528.66

Synonyms: CPI-169 racemate|1450655-76-1|CPI-169|CPI169|CPI-169 (racemate)|CPI 169|1-[1-(1-ethylsulfonylpiperid...

SMILES: CCS(=O)(=O)N1CCC(CC1)C(C)N2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C

InChIKey: LHGUZCKPFXXVPV-UHFFFAOYSA-N

InChI: InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)

Product No.
Description
Grade & Purity (?)

C421665
CPI-169
- 10mM in DMSO
| Pricing Close