Search results for: '927-83-3'

: 1-Heptyl isothiocyanate
Cas Number: 4426-83-9 EC Number: 224-610-3

Formula: C₈H₁₅NS

Molecular weight: 157.28

Synonyms: Heptyl isothiocyanate|4426-83-9|1-Isothiocyanatoheptane|Heptane, 1-isothiocyanato-|Heptylisothiocyan...

SMILES: CCCCCCCN=C=S

InChIKey: LIPUQNPCPLDDBO-UHFFFAOYSA-N

InChI: InChI=1S/C8H15NS/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3

Product No.
Description
Grade & Purity (?)

H140574
1-Heptyl isothiocyanate
- ≥96%
| Pricing Close

: 1-Methyl-1H-indazole-3-carbaldehyde
Cas Number: 4002-83-9

Formula: C₉H₈N₂O

Molecular weight: 160.17

Synonyms: 1-methyl-1H-indazole-3-carbaldehyde|4002-83-9|1-methylindazole-3-carbaldehyde|1-Methyl-1H-indazole-3...

SMILES: CN1C2=CC=CC=C2C(=N1)C=O

InChIKey: KYDLGYCLCFKUHY-UHFFFAOYSA-N

InChI: InChI=1S/C9H8N2O/c1-11-9-5-3-2-4-7(9)8(6-12)10-11/h2-6H,1H3

Product No.
Description
Grade & Purity (?)

M176393
1-Methyl-1H-indazole-3-carbaldehyde
- ≥97%
| Pricing Close

: 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
Cas Number: 306935-83-1

Formula: C₈H₅Cl₂NS

Molecular weight: 218.11

Synonyms: 306935-83-1|1,5-dichloro-2-isothiocyanato-3-methylbenzene|2,4-Dichloro-6-methylphenyl isothiocyanate...

SMILES: CC1=CC(=CC(=C1N=C=S)Cl)Cl

InChIKey: INEPHFOQAAZPOE-UHFFFAOYSA-N

InChI: InChI=1S/C8H5Cl2NS/c1-5-2-6(9)3-7(10)8(5)11-4-12/h2-3H,1H3

Product No.
Description
Grade & Purity (?)

D300722
1,5-Dichloro-2-isothiocyanato-3-methylbenzene
- ≥95%
| Pricing Close

: 1-BUTYL-4-METHYLPIPERIDINE
Cas Number: 103199-83-3

Formula: C₁₀H₂₁N

Molecular weight: 155.286

Synonyms: 1-butyl-4-methylpiperidine|1-(N-BUTYL)-4-METHYLPIPERIDINE|103199-83-3|Piperidine, 1-butyl-4-methyl|S...

SMILES: CCCCN1CCC(CC1)C

InChIKey: AXMCYIWXDKWDCL-UHFFFAOYSA-N

InChI: InChI=1S/C10H21N/c1-3-4-7-11-8-5-10(2)6-9-11/h10H,3-9H2,1-2H3

Product No.
Description
Grade & Purity (?)

B165543
1-BUTYL-4-METHYLPIPERIDINE
| Pricing Close

: 3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Cas Number: 1093750-93-6

Formula: C₆H₇F₃O₂

Molecular weight: 168.1138

Synonyms: 1093750-93-6|3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXYLIC ACID|3-(TRIFLUOROMETHYL)CYCLOBUTANECARBOXYL...

SMILES: C1C(CC1C(F)(F)F)C(=O)O

InChIKey: ZSULKAPJHICPKB-UHFFFAOYSA-N

InChI: InChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)

Product No.
Description
Grade & Purity (?)

T171975
3-(trifluoromethyl)cyclobutane-1-carboxylic acid
- ≥97%
| Pricing Close

: Trigonelline
3 Citations

Cas Number: 535-83-1

Formula: C₇H₇NO₂

Molecular weight: 137.14

Synonyms: Trigonelline|535-83-1|Trigenolline|N-Methylnicotinate|Caffearine|Gynesine|Coffearine|Betain nicotina...

SMILES: C[N+]1=CC=CC(=C1)C(=O)[O-]

InChIKey: WWNNZCOKKKDOPX-UHFFFAOYSA-N

InChI: InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3

Product No.
Description
Grade & Purity (?)

T424578
Trigonelline
- 10mM in DMSO
| Pricing Close

: N-Butyl 3-bromo-5-(trifluoromethyl)benzenesulfonamide
Cas Number: 1020252-83-8

Formula: C₁₁H₁₃BrF₃NO₂S

Molecular weight: 360.2

Synonyms: 1020252-83-8|3-Bromo-N-butyl-5-(trifluoromethyl)benzenesulfonamide|N-BUTYL 3-BROMO-5-(TRIFLUOROMETHY...

SMILES: CCCCNS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)Br

InChIKey: IJPATHMDDIDFND-UHFFFAOYSA-N

InChI: InChI=1S/C11H13BrF3NO2S/c1-2-3-4-16-19(17,18)10-6-8(11(13,14)15)5-9(12)7-10/h5-7,16H,2-4H2,1H3

Product No.
Description
Grade & Purity (?)

N178791
N-Butyl 3-bromo-5-(trifluoromethyl)benzenesulfonamide
- ≥98%
| Pricing Close

: trans-3-methylcyclobutanecarboxylic acid
Synonyms: 3-Methylcyclobutanecarboxylic acid|57252-83-2|cis-3-Methylcyclobutanecarboxylic acid|TRANS-3-METHYLC...

SMILES: CC1CC(C1)C(=O)O

InChIKey: ZLXHOVJKNATDMT-UHFFFAOYSA-N

InChI: InChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)

Product No.
Description
Grade & Purity (?)

T177886
trans-3-methylcyclobutanecarboxylic acid
- ≥97%
| Pricing Close

: (2S)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propanoic acid
Cas Number: 2095483-83-1

Synonyms: 2095483-83-1 | (2S)-2-amino-3-{bicyclo[1.1.1]pentan-1-yl}propanoic acid | (2S)-2-AMINO-3-(BICYCLO[1....

SMILES: C1C2CC1(C2)CC(C(=O)O)N

InChIKey: IENPWSBMRBJIBM-PIJYJLRNSA-N

InChI: InChI=1S/C8H13NO2/c9-6(7(10)11)4-8-1-5(2-8)3-8/h5-6H,1-4,9H2,(H,10,11)/t5?,6-,8?/m0/s1

Product No.
Description
Grade & Purity (?)

A631585
(2S)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propanoic acid
- ≥97%
| Pricing Close

: 3-Amino-4-(trifluoromethyl)benzonitrile
Cas Number: 1220630-83-0

Formula: C₈H₅F₃N₂

Molecular weight: 186.13

Synonyms: 3-Amino-4-(trifluoromethyl)benzonitrile|1220630-83-0|Benzonitrile, 3-amino-4-(trifluoromethyl)-|MFCD...

SMILES: C1=CC(=C(C=C1C#N)N)C(F)(F)F

InChIKey: CZYRYIJZODSVTK-UHFFFAOYSA-N

InChI: InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3H,13H2

Product No.
Description
Grade & Purity (?)

A190177
3-Amino-4-(trifluoromethyl)benzonitrile
- ≥98%
| Pricing Close

: venadaparib, Inhibitor of poly(ADP-ribose) polymerase 1
Cas Number: 1681017-83-3

Synonyms: 1681017-83-3 | 1(2H)-Phthalazinone, 4-((3-((3-((cyclopropylamino)methyl)-1-azetidinyl)carbonyl)-4-fl...

SMILES: Fc1ccc(cc1C(=O)N1CC(C1)CNC1CC1)Cc1n[nH]c(=O)c2c1cccc2

InChIKey: YNBQAYKYNYRCCA-UHFFFAOYSA-N

InChI: InChI=1S/C23H23FN4O2/c24-20-8-5-14(10-21-17-3-1-2-4-18(17)22(29)27-26-21)9-19(20)23(30)28-12-15(13-28)11-25-16-6-7-16/h1-5,8-9,15-16,25H,6-7,10-13H2,(H,27,29)

Product No.
Description
Grade & Purity (?)

V614729
venadaparib, Inhibitor of poly(ADP-ribose) polymerase 1
| Pricing Close

: trans-3-(trifluoromethyl)cyclobutanol
Cas Number: 2091782-60-2

Formula: C₅H₇OF₃

Molecular weight: 140.1

Synonyms: 3-(Trifluoromethyl)cyclobutan-1-ol | 1788054-83-0 | trans-3-(trifluoromethyl)cyclobutanol | 3-(Trifl...

SMILES: C1C(CC1O)C(F)(F)F

InChIKey: XGAGIAQWWXHRJN-UHFFFAOYSA-N

InChI: InChI=1S/C5H7F3O/c6-5(7,8)3-1-4(9)2-3/h3-4,9H,1-2H2

Product No.
Description
Grade & Purity (?)

T631558
trans-3-(trifluoromethyl)cyclobutanol
- ≥97%
| Pricing Close

: (R)-tert-Butyl (morpholin-3-ylmethyl)carbamate
Cas Number: 1257850-83-1

Formula: C₁₀H₂₀N₂O₃

Molecular weight: 216.28

Synonyms: 1257850-83-1 | MFCD17010137 | DS-13150 | SCHEMBL8570463 | tert-butyl (R)-(morpholin-3-ylmethyl)carba...

SMILES: CC(C)(C)OC(=O)NCC1COCCN1

InChIKey: OTGAMPLHQAGRIU-MRVPVSSYSA-N

InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-6-8-7-14-5-4-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1

Product No.
Description
Grade & Purity (?)

R190348
(R)-tert-Butyl (morpholin-3-ylmethyl)carbamate
- ≥95%
| Pricing Close

: 3-(N-Isopropylaminocarbonyl)-5-nitrophenylboronic acid
Cas Number: 871332-83-1

Formula: C₁₀H₁₃BN₂O₅

Molecular weight: 252

Synonyms: 871332-83-1|(3-(Isopropylcarbamoyl)-5-nitrophenyl)boronic acid|3-(N-Isopropylaminocarbonyl)-5-nitrop...

SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(C)C)(O)O

InChIKey: PYKABFXJAFKIRR-UHFFFAOYSA-N

InChI: InChI=1S/C10H13BN2O5/c1-6(2)12-10(14)7-3-8(11(15)16)5-9(4-7)13(17)18/h3-6,15-16H,1-2H3,(H,12,14)

Product No.
Description
Grade & Purity (?)

N187370
3-(N-Isopropylaminocarbonyl)-5-nitrophenylboronic acid
- ≥98%
| Pricing Close

: (Hydroxymethyl)triphenylphosphonium chloride
Cas Number: 5293-83-4

Formula: C₁₉H₁₈ClOP

Molecular weight: 328.77

Synonyms: (Hydroxymethyl)triphenylphosphonium chloride|5293-83-4|hydroxymethyl triphenylphosphonium chloride|E...

SMILES: C1=CC=C(C=C1)[P+](CO)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChIKey: VTXFLDLWTNQCAL-UHFFFAOYSA-M

InChI: InChI=1S/C19H18OP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1

Product No.
Description
Grade & Purity (?)

H170810
(Hydroxymethyl)triphenylphosphonium chloride
- ≥95%
| Pricing Close

: 1-Benzyl-3-phenylpiperidin-4-one
Cas Number: 446302-83-6

Formula: C₁₈H₁₉NO

Molecular weight: 265.35

Synonyms: 1-BENZYL-3-PHENYLPIPERIDIN-4-ONE|446302-83-6|1-benzyl-3-phenyl-piperidin-4-one|SCHEMBL1400959|DTXSID...

SMILES: C1CN(CC(C1=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChIKey: VDRJIVUPMPNZBO-UHFFFAOYSA-N

InChI: InChI=1S/C18H19NO/c20-18-11-12-19(13-15-7-3-1-4-8-15)14-17(18)16-9-5-2-6-10-16/h1-10,17H,11-14H2

Product No.
Description
Grade & Purity (?)

B193442
1-Benzyl-3-phenylpiperidin-4-one
- ≥97%
| Pricing Close

: methyl 5-hydroxytetrahydropyran-3-carboxylate
Cas Number: 1207624-83-6

Formula: C₇H₁₂O₄

Molecular weight: 160.17

Synonyms: methyl 5-hydroxyoxane-3-carboxylate | 1207624-83-6 | Methyl 5-hydroxytetrahydro-2H-pyran-3-carboxyla...

SMILES: COC(=O)C1CC(COC1)O

InChIKey: TVDGYINOOUKBLT-UHFFFAOYSA-N

InChI: InChI=1S/C7H12O4/c1-10-7(9)5-2-6(8)4-11-3-5/h5-6,8H,2-4H2,1H3

Product No.
Description
Grade & Purity (?)

M627367
methyl 5-hydroxytetrahydropyran-3-carboxylate
- ≥97%
| Pricing Close

: 1-chloro-3-iodo-5-(trifluoromethyl)benzene
Cas Number: 1189352-83-7 EC Number: 812-243-7

Formula: C₇H₃F₃ClI

Molecular weight: 306.45

Synonyms: 1-CHLORO-3-IODO-5-TRIFLUOROMETHYL-BENZENE | AKOS007930059 | 3-Chloro-5-iodobenzotrifluoride | 1-Chlo...

SMILES: C1=C(C=C(C=C1Cl)I)C(F)(F)F

InChIKey: LJWHHSGVKPUZEL-UHFFFAOYSA-N

InChI: InChI=1S/C7H3ClF3I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H

Product No.
Description
Grade & Purity (?)

C635478
1-chloro-3-iodo-5-(trifluoromethyl)benzene
- ≥97%
| Pricing Close

: trans-3-methoxycyclobutanamine hydrochloride
Cas Number: 1408074-49-6

Formula: C₅H₁₂ClNO

Molecular weight: 137.61

Synonyms: 3-Methoxycyclobutanamine hydrochloride|TRANS-3-METHOXYCYCLOBUTANAMINE HYDROCHLORIDE|1404373-83-6|140...

SMILES: COC1CC(C1)N.Cl

InChIKey: NPVRFSSTNGPBEB-UHFFFAOYSA-N

InChI: InChI=1S/C5H11NO.ClH/c1-7-5-2-4(6)3-5;/h4-5H,2-3,6H2,1H3;1H

Product No.
Description
Grade & Purity (?)

T173972
trans-3-methoxycyclobutanamine hydrochloride
- ≥97%
| Pricing Close

: 3-(Iodomethyl)-1,1-dimethoxycyclobutane
Cas Number: 1003013-83-9

Formula: C₇H₁₃IO₂

Molecular weight: 256.1

Synonyms: 3-(IODOMETHYL)-1,1-DIMETHOXYCYCLOBUTANE|1003013-83-9|Cyclobutane, 3-(iodomethyl)-1,1-dimethoxy-|C7H1...

SMILES: COC1(CC(C1)CI)OC

InChIKey: AGPKIHFLRJRIKP-UHFFFAOYSA-N

InChI: InChI=1S/C7H13IO2/c1-9-7(10-2)3-6(4-7)5-8/h6H,3-5H2,1-2H3

Product No.
Description
Grade & Purity (?)

I178680
3-(Iodomethyl)-1,1-dimethoxycyclobutane
- ≥95%
| Pricing Close

: 1-(3-bromo-2-pyridyl)ethanol
Cas Number: 1383734-83-5

Formula: C₇H₈NOBr

Molecular weight: 202.05

Synonyms: 1-(3-bromopyridin-2-yl)ethanol | 1383734-83-5 | 1-(3-bromopyridin-2-yl)ethan-1-ol | MFCD26860013 | (...

SMILES: CC(C1=C(C=CC=N1)Br)O

InChIKey: XEBDEXIOOONSJK-UHFFFAOYSA-N

InChI: InChI=1S/C7H8BrNO/c1-5(10)7-6(8)3-2-4-9-7/h2-5,10H,1H3

Product No.
Description
Grade & Purity (?)

E628787
1-(3-bromo-2-pyridyl)ethanol
- ≥97%
| Pricing Close

: (3S)-1-[(tert-butoxy)carbonyl]-3-fluoropiperidine-3-carboxylic acid
Cas Number: 2218467-83-3

Formula: C₁₁H₁₈FNO₄

Molecular weight: 247.27

Synonyms: 2218467-83-3 | (3S)-1-[(tert-butoxy)carbonyl]-3-fluoropiperidine-3-carboxylic acid | (S)-1-(tert-But...

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

InChIKey: BUOPUFGUVSXFRG-NSHDSACASA-N

InChI: InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)/t11-/m0/s1

Product No.
Description
Grade & Purity (?)

F632142
(3S)-1-[(tert-butoxy)carbonyl]-3-fluoropiperidine-3-carboxylic acid
- ≥97%
| Pricing Close

: N-Butyl 5-bromonicotinamide
Cas Number: 1150561-83-3

Formula: C₁₀H₁₃BrN₂O

Molecular weight: 257.1

Synonyms: N-BUTYL 5-BROMONICOTINAMIDE|1150561-83-3|5-bromo-N-butylpyridine-3-carboxamide|N-Butyl5-bromonicotin...

SMILES: CCCCNC(=O)C1=CC(=CN=C1)Br

InChIKey: JYLRBVKAUPICND-UHFFFAOYSA-N

InChI: InChI=1S/C10H13BrN2O/c1-2-3-4-13-10(14)8-5-9(11)7-12-6-8/h5-7H,2-4H2,1H3,(H,13,14)

Product No.
Description
Grade & Purity (?)

N179696
N-Butyl 5-bromonicotinamide
- ≥96%
| Pricing Close

: tert-butyl 2,2-dimethyl-3-oxoazetidine-1-carboxylate
Cas Number: 1628748-83-3 EC Number: 860-489-9

Formula: C₁₀H₁₇NO₃

Molecular weight: 199.25

Synonyms: 1628748-83-3 | tert-Butyl2,2-dimethyl-3-oxoazetidine-1-carboxylate | EN300-7473118 | SCHEMBL17536005...

SMILES: CC1(C(=O)CN1C(=O)OC(C)(C)C)C

InChIKey: XBMJUOJTMXHRBL-UHFFFAOYSA-N

InChI: InChI=1S/C10H17NO3/c1-9(2,3)14-8(13)11-6-7(12)10(11,4)5/h6H2,1-5H3

Product No.
Description
Grade & Purity (?)

T629918
tert-butyl 2,2-dimethyl-3-oxoazetidine-1-carboxylate
- ≥97%
| Pricing Close