Vitas-M small molecule compound

ethyl 4-cyano-5-({[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methylthiophene-2-carboxylate

Catalog ID
STK546488
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc2CCCc2c(c1C#N)c1ccccc1

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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 C26H22N4O3S2 MW 502.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S2/c1-3-33-26(32)23-15(2)18(12-27)25(35-23)30-21(31)14-34-24-19(13-28)22(16-8-5-4-6-9-16)17-10-7-11-20(17)29-24/h4-6,8-9H,3,7,10-11,14H2,1-2H3,(H,30,31)
InChIKey
GAWVAOVFASVDOJ-UHFFFAOYSA-N
Synonyms
445383-62-0
445383620
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCC3)C(=C2C#N)C4=CC=CC=C4)C#N)C
ETHYL4CYANO5((((3CYANO4PHENYL67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ethyl4cyano5((((3cyano4phenyl67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((2((3CYANO4PHENYL67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ethyl4cyano5(2((3cyano4phenyl67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC26H22N4O3S2c133326(32)2315(2)18(1227)25(3523)3021(31)14342419(1328)22(168546916)171071120(17)2924h4689H37101114H212H3(H3031)
MFCD03234610
ZINC000008451146
ZINC08451146
ZINC8451146

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.