Search results for: '68065-81-6'

: zabedosertib, Inhibitor of interleukin 1 receptor associated kinase 4
Cas Number: 1931994-81-8

Formula: C₂₀H₂₁N₄O₄F₃S

Molecular weight: 470.46

Synonyms: 1931994-81-8 | EX-A5143 | US10308634, Example 12 | HY-139374 | N-{6-(2-Hydroxypropan-2-yl)-2-[2-(met...

SMILES: CC(C)(C1=CC2=NN(C=C2C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)CCS(=O)(=O)C)O

InChIKey: OQAMEEFUUFJZRS-UHFFFAOYSA-N

InChI: InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)

Product No.
Description
Grade & Purity (?)

Z614936
zabedosertib, Inhibitor of interleukin 1 receptor associated kinase 4
- ≥97%
| Pricing Close

: 3-Carboxy-4,5-difluorophenylboronic acid
Cas Number: 1217500-81-6

Formula: C₇H₅BF₂O₄

Molecular weight: 201.9

Synonyms: 3-CARBOXY-4,5-DIFLUOROPHENYLBORONIC ACID|1217500-81-6|5-borono-2,3-difluorobenzoic acid|SCHEMBL99387...

SMILES: B(C1=CC(=C(C(=C1)F)F)C(=O)O)(O)O

InChIKey: LGTXKMKWZQXDKJ-UHFFFAOYSA-N

InChI: InChI=1S/C7H5BF2O4/c9-5-2-3(8(13)14)1-4(6(5)10)7(11)12/h1-2,13-14H,(H,11,12)

Product No.
Description
Grade & Purity (?)

C180264
3-Carboxy-4,5-difluorophenylboronic acid
- ≥96%
| Pricing Close

: 2-Amino-4-bromo-5-methylphenol
Cas Number: 848358-81-6

Formula: C₇H₈BrNO

Molecular weight: 202.05

Synonyms: 2-amino-4-bromo-5-methylphenol|848358-81-6|SCHEMBL304587|DTXSID90604132|OVFOSMHDFYXTCQ-UHFFFAOYSA-N|...

SMILES: CC1=CC(=C(C=C1Br)N)O

InChIKey: OVFOSMHDFYXTCQ-UHFFFAOYSA-N

InChI: InChI=1S/C7H8BrNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3

Product No.
Description
Grade & Purity (?)

A195279
2-Amino-4-bromo-5-methylphenol
- ≥97%
| Pricing Close

: HS 38
Cas Number: 1030203-81-6

Formula: C₁₄H₁₂CIN₅O₂S

Molecular weight: 349.8

Synonyms: Z247384094 | 2-[[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanamide | 10...

SMILES: CC(C(=O)N)SC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)N1

InChIKey: NASYEGAVCTZSDO-UHFFFAOYSA-N

InChI: InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)

Product No.
Description
Grade & Purity (?)

H287038
HS 38
- ≥98%(HPLC)
| Pricing Close

: 3-(2,2,2-trifluoroethyl)azetidine hydrochloride
Cas Number: 1394041-81-6

Formula: C₅H₉ClF₃N

Molecular weight: 175.58

Synonyms: 3-(2,2,2-Trifluoroethyl)azetidine hydrochloride|1394041-81-6|3-(2,2,2-Trifluoroethyl)azetidine HCl|3...

SMILES: C1C(CN1)CC(F)(F)F.Cl

InChIKey: ODBDUZZXMPFLTD-UHFFFAOYSA-N

InChI: InChI=1S/C5H8F3N.ClH/c6-5(7,8)1-4-2-9-3-4;/h4,9H,1-3H2;1H

Product No.
Description
Grade & Purity (?)

T173873
3-(2,2,2-trifluoroethyl)azetidine hydrochloride
- ≥97%
| Pricing Close

: 2,4-Dichloro-5-ethoxyphenylboronic acid
Cas Number: 915200-81-6

Formula: C₈H₉BCl₂O₃

Molecular weight: 234.9

Synonyms: 915200-81-6|(2,4-Dichloro-5-ethoxyphenyl)boronic acid|2,4-DICHLORO-5-ETHOXYPHENYLBORONIC ACID|(2,4-D...

SMILES: B(C1=CC(=C(C=C1Cl)Cl)OCC)(O)O

InChIKey: VVHOCDCNPFIXLE-UHFFFAOYSA-N

InChI: InChI=1S/C8H9BCl2O3/c1-2-14-8-3-5(9(12)13)6(10)4-7(8)11/h3-4,12-13H,2H2,1H3

Product No.
Description
Grade & Purity (?)

D188224
2,4-Dichloro-5-ethoxyphenylboronic acid
- ≥98%
| Pricing Close

: 6-Chloro-2(3H)-benzothiazolone
Cas Number: 62266-81-3

Formula: C₇H₄ClNOS

Molecular weight: 185.63

Synonyms: 62266-81-3|6-Chlorobenzo[d]thiazol-2(3H)-one|6-chloro-3H-benzothiazol-2-one|2(3H)-Benzothiazolone, 6...

SMILES: C1=CC2=C(C=C1Cl)SC(=O)N2

InChIKey: PUQHEPFUBPHTCG-UHFFFAOYSA-N

InChI: InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

Product No.
Description
Grade & Purity (?)

C194248
6-Chloro-2(3H)-benzothiazolone
- ≥97%
| Pricing Close

: Scopolamine N-Oxide Hydrobromide Monohydrate
Cas Number: 6106-81-6

Formula: C₁₇H₂₁NO₅·HBr·H₂O

Molecular weight: 418.28

Synonyms: Scopolamine N-oxide hydrobromide|Scopolamine N-oxide HBr|6106-81-6|Hyoscine N-oxide hydrobromide|Sco...

SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-].Br

InChIKey: MGNNYKWRWHQLCR-RDYQINQZSA-N

InChI: InChI=1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+,18?;/m1./s1

Product No.
Description
Grade & Purity (?)

S425059
Scopolamine N-Oxide Hydrobromide Monohydrate
- 10mM in DMSO
| Pricing Close

: 2-Amino-6-chloro-4-pyrimidinol hydrate
Cas Number: 206658-81-3

Formula: C₄H₆ClN₃O₂

Molecular weight: 163.56

Synonyms: 410530-71-1|2-Amino-6-chloropyrimidin-4-ol hydrate|2-Amino-6-chloro-4-pyrimidinol hydrate|206658-81-...

SMILES: C1=C(N=C(NC1=O)N)Cl.O

InChIKey: KBQIJULVUFJCMD-UHFFFAOYSA-N

InChI: InChI=1S/C4H4ClN3O.H2O/c5-2-1-3(9)8-4(6)7-2;/h1H,(H3,6,7,8,9);1H2

Product No.
Description
Grade & Purity (?)

A168452
2-Amino-6-chloro-4-pyrimidinol hydrate
- ≥98%
| Pricing Close

: methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Synonyms: 1234615-81-6|METHYL 6-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE|METHYL 6-CHLORO-7-AZAINDOLE-3-C...

SMILES: COC(=O)C1=CNC2=C1C=CC(=N2)Cl

InChIKey: FBHORVVBJUWNMG-UHFFFAOYSA-N

InChI: InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-11-8-5(6)2-3-7(10)12-8/h2-4H,1H3,(H,11,12)

Product No.
Description
Grade & Purity (?)

M172786
methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
- ≥97%
| Pricing Close

: 1,6–Hexanediammonium dibromide
Cas Number: 24731-81-5

Formula: C₆H₁₈N₂Br₂

Molecular weight: 278.03

Synonyms: Hexamethylenediammonium dibromide|24731-81-5|Hexane-1,6-diammonium bromide|6-azaniumylhexylazanium;d...

SMILES: C(CCC[NH3+])CC[NH3+].[Br-].[Br-]

InChIKey: XSYPBULLQGGYPJ-UHFFFAOYSA-N

InChI: InChI=1S/C6H16N2.2BrH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H

Product No.
Description
Grade & Purity (?)

H292837
1,6–Hexanediammonium dibromide
- ≥99%
| Pricing Close

: 5-Bromo-6-(trifluoromethyl)pyrimidin-4-ol
Cas Number: 942060-14-2

Formula: C5H2BrF3N2O

Molecular weight: 243

Synonyms: 5-bromo-6-(trifluoromethyl)pyrimidin-4-ol|942060-14-2|126538-81-6|5-bromo-6-(trifluoromethyl)-4-pyri...

SMILES: C1=NC(=C(C(=O)N1)Br)C(F)(F)F

InChIKey: GUMRBYBFTLXIKZ-UHFFFAOYSA-N

InChI: InChI=1S/C5H2BrF3N2O/c6-2-3(5(7,8)9)10-1-11-4(2)12/h1H,(H,10,11,12)

Product No.
Description
Grade & Purity (?)

B188482
5-Bromo-6-(trifluoromethyl)pyrimidin-4-ol
- ≥95%
| Pricing Close

: pirbuterol
Cas Number: 38677-81-5

Synonyms: 38677-81-5 (free base) | 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol | PIRB...

SMILES: OCc1nc(ccc1O)C(CNC(C)(C)C)O

InChIKey: VQDBNKDJNJQRDG-UHFFFAOYSA-N

InChI: InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3

Product No.
Description
Grade & Purity (?)

P612845
pirbuterol
| Pricing Close

: tert-butyl 6-bromo-1,1-dimethyl-2,3-dihydro-1H-isoindole-2-carboxylate
Synonyms: 2055840-81-6|tert-butyl 6-bromo-1,1-dimethyl-2,3-dihydro-1H-isoindole-2-carboxylate|MFCD30531329|2H-...

SMILES: CC1(C2=C(CN1C(=O)OC(C)(C)C)C=CC(=C2)Br)C

InChIKey: ZCYBWOWJMOPMEM-UHFFFAOYSA-N

InChI: InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-9-10-6-7-11(16)8-12(10)15(17,4)5/h6-8H,9H2,1-5H3

Product No.
Description
Grade & Purity (?)

T175623
tert-butyl 6-bromo-1,1-dimethyl-2,3-dihydro-1H-isoindole-2-carboxylate
- ≥97%
| Pricing Close

: 2-tert-butyl 6-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate
Cas Number: 1408074-81-6

Formula: C₁₃H₂₁NO₄

Molecular weight: 255.314

Synonyms: 1408074-81-6|2-tert-butyl 6-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate|Methyl 2-Boc-2-aza-spiro...

SMILES: CC(C)(C)OC(=O)N1CC2(C1)CC(C2)C(=O)OC

InChIKey: FZDJDEXABKVIDA-UHFFFAOYSA-N

InChI: InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-7-13(8-14)5-9(6-13)10(15)17-4/h9H,5-8H2,1-4H3

Product No.
Description
Grade & Purity (?)

T173982
2-tert-butyl 6-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate
- ≥97%
| Pricing Close

: (2S,4R)-1,4-dimethylpyrrolidine-2-carboxylic acid
Cas Number: 1946010-81-6

Formula: C₇H₁₃NO₂

Molecular weight: 143.1836

Synonyms: (2S,4R)-1,4-Dimethylpyrrolidine-2-carboxylic acid|1946010-81-6|MFCD30146473|SCHEMBL4072231|DTXSID001...

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

InChIKey: FAKNQOZVXKYTPZ-RITPCOANSA-N

InChI: InChI=1S/C7H13NO2/c1-5-3-6(7(9)10)8(2)4-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m1/s1

Product No.
Description
Grade & Purity (?)

S175408
(2S,4R)-1,4-dimethylpyrrolidine-2-carboxylic acid
- ≥97%
| Pricing Close

: ethyl 1,4-diazabicyclo[2.2.2]octane-2-carboxylate;dihydrochloride
Cas Number: 2725790-81-6

Synonyms: Ethyl 1,4-diazabicyclo[2.2.2]octane-2-carboxylate dihydrochloride | ethyl 1,4-diazabicyclo[2.2.2]oct...

SMILES: CCOC(=O)C1CN2CCN1CC2.Cl.Cl

InChIKey: FMTMULWQIWTSPK-UHFFFAOYSA-N

InChI: InChI=1S/C9H16N2O2.2ClH/c1-2-13-9(12)8-7-10-3-5-11(8)6-4-10;;/h8H,2-7H2,1H3;2*1H

Product No.
Description
Grade & Purity (?)

E633380
ethyl 1,4-diazabicyclo[2.2.2]octane-2-carboxylate;dihydrochloride
- ≥97%
| Pricing Close

: tert-butyl 3-cyano-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
Cas Number: 1823265-81-1

Formula: C₁₃H₁₅N₃O₂

Molecular weight: 245.28

Synonyms: 1823265-81-1 | tert-butyl 3-cyano-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate | tert-Butyl 3-cya...

SMILES: CC(C)(C)OC(=O)N1CC2=C(C1)N=CC(=C2)C#N

InChIKey: CSZDKWGHNLVXQD-UHFFFAOYSA-N

InChI: InChI=1S/C13H15N3O2/c1-13(2,3)18-12(17)16-7-10-4-9(5-14)6-15-11(10)8-16/h4,6H,7-8H2,1-3H3

Product No.
Description
Grade & Purity (?)

T630745
tert-butyl 3-cyano-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
- ≥97%
| Pricing Close

: tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-6-carboxylate
Synonyms: 186203-81-6|tert-Butyl hexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate|6-BOC-OCTAHYDROPYRROLO[...

SMILES: CC(C)(C)OC(=O)N1CC2CCCNC2C1

InChIKey: LPNOEYLQBVUWGH-UHFFFAOYSA-N

InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-4-6-13-10(9)8-14/h9-10,13H,4-8H2,1-3H3

Product No.
Description
Grade & Purity (?)

T175294
tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-6-carboxylate
- ≥97%
| Pricing Close

: 1,5,5-Trimethylhydantoin
2 Citations

Cas Number: 6851-81-6 EC Number: 229-945-9

Formula: C₆H₁₀N₂O₂

Molecular weight: 142.16

Synonyms: 1,5,5-Trimethylhydantoin|6851-81-6|1,5,5-Trimethylimidazolidine-2,4-dione|Hydantoin, 1,5,5-trimethyl...

SMILES: CC1(C(=O)NC(=O)N1C)C

InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N

InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)

Product No.
Description
Grade & Purity (?)

T425454
1,5,5-Trimethylhydantoin
- 10mM in DMSO
| Pricing Close

: Poliumoside
Cas Number: 94079-81-9

Formula: C₃₅H₄₆O₁₉

Molecular weight: 770.73

Synonyms: POLIUMOSIDE|94079-81-9|CID 6442411|[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-...

SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O

InChIKey: YMWRMAOPKNYHMZ-VMPITWQZSA-N

InChI: InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,1See more

Product No.
Description
Grade & Purity (?)

P427008
Poliumoside
- 10mM in DMSO
| Pricing Close

: GNE-477
Cas Number: 1032754-81-6

Formula: C₂₁H₂₈N₈O₃S₂

Molecular weight: 504.63

Synonyms: GNE-477|1032754-81-6|GNE 477|5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinoth...

SMILES: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)S(=O)(=O)C

InChIKey: AKKCGLXULFRAET-UHFFFAOYSA-N

InChI: InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)

Product No.
Description
Grade & Purity (?)

G420412
GNE-477
- 10mM in DMSO
| Pricing Close

: Benzil
10 Citations

Cas Number: 134-81-6 EC Number: 205-157-0

Formula: C₁₄H₁₀O₂

Molecular weight: 210.23

Synonyms: Dibenzoyl | CAS-134-81-6 | CS-0012125 | DTXSID3044380 | SCHEMBL66 | diphenylethane-1,2-dione | NSC40...

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

InChIKey: WURBFLDFSFBTLW-UHFFFAOYSA-N

InChI: InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H

Product No.
Description
Grade & Purity (?)

B104611
Benzil
- ≥98%
| Pricing Close

: 2-METHANESULFONYL-1H-BENZOIMIDAZOLE
Cas Number: 57159-81-6

Formula: C₈H₈N₂O₂S

Molecular weight: 196.229

Synonyms: 57159-81-6|2-(Methylsulfonyl)-1H-benzo[d]imidazole|2-(methylsulfonyl)-1H-benzimidazole|2-methylsulfo...

SMILES: CS(=O)(=O)C1=NC2=CC=CC=C2N1

InChIKey: LEEMFGGMWJGRQO-UHFFFAOYSA-N

InChI: InChI=1S/C8H8N2O2S/c1-13(11,12)8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)

Product No.
Description
Grade & Purity (?)

M171040
2-METHANESULFONYL-1H-BENZOIMIDAZOLE
| Pricing Close