Vitas-M small molecule compound

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

Catalog ID
STK842558
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc2CCCc2cc1C#N

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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 C20H18N4O3S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S2/c1-3-27-20(26)17-11(2)14(9-22)19(29-17)24-16(25)10-28-18-13(8-21)7-12-5-4-6-15(12)23-18/h7H,3-6,10H2,1-2H3,(H,24,25)
InChIKey
LRPNMKWIOOQGDV-UHFFFAOYSA-N
Synonyms
445383-07-3
445383073
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCC3)C=C2C#N)C#N)C
ETHYL4CYANO5((((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ethyl4cyano5((((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)THIO)ACETYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ETHYL4CYANO5((2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ethyl4cyano5(2((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC20H18N4O3S2c132720(26)1711(2)14(922)19(2917)2416(25)10281813(821)71254615(12)2318h7H3610H212H3(H2425)
MFCD03234575
ZINC000037866210
ZINC37866210

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Available files

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