Vitas-M small molecule compound
propan-2-yl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK669560
SMILES N#CC1=C(N)OC(=C(C1c1cccc(c1)OCc1ccccc1)C(=O)OC(C)C)CSc1nc(C)c(c(c1C#N)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H32N4O4S MW 580.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O4S/c1-19(2)40-33(38)30-28(18-42-32-26(15-34)21(4)20(3)22(5)37-32)41-31(36)27(16-35)29(30)24-12-9-13-25(14-24)39-17-23-10-7-6-8-11-23/h6-14,19,29H,17-18,36H2,1-5H3InChIKey
ZAYSMVQCTLZZEH-UHFFFAOYSA-NSynonyms
CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)C)C
InChI=1SC33H32N4O4Sc119(2)4033(38)3028(18423226(1534)21(4)20(3)22(5)3732)4131(36)27(1635)29(30)241291325(1424)391723107681123h6141929H171836H215H3
isopropyl6amino4(3(benzyloxy)phenyl)5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4Hpyran3carboxylate
MFCD00743891
PROPAN2YL(4S)6AMINO4(3(BENZYLOXY)PHENYL)5CYANO2(((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
PROPAN2YL6AMINO4(3(BENZYLOXY)PHENYL)5CYANO2(((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
PROPAN2YL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4(3PHENYLMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
ZINC000001874827
ZINC000053334167
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