Vitas-M small molecule compound

methyl 2-{[(4-chlorophenyl)carbonyl]amino}-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate

Catalog ID
STK538020
SMILES COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)c1ccc(cc1)Cl

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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 C19H17ClF3N3O3S MW 459.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClF3N3O3S/c1-4-13-10(2)30-16(14(13)9-24)26-18(17(28)29-3,19(21,22)23)25-15(27)11-5-7-12(20)8-6-11/h5-8,26H,4H2,1-3H3,(H,25,27)
InChIKey
YFEWSXDUUZLRQC-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)C
InChI=1SC19H17ClF3N3O3Sc141310(2)3016(14(13)924)2618(17(28)29319(2122)23)2515(27)115712(20)8611h5826H4H213H3(H2527)
methyl2(((4chlorophenyl)carbonyl)amino)N(3cyano4ethyl5methylthiophen2yl)333trifluoroalaninate
METHYL2((4CHLOROBENZOYL)AMINO)2((3CYANO4ETHYL5METHYL2THIENYL)AMINO)333TRIFLUOROPROPANOATE
METHYL2((4CHLOROBENZOYL)AMINO)2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)333TRIFLUOROPROPANOATE
methyl2(4chlorobenzamido)2((3cyano4ethyl5methylthiophen2yl)amino)333trifluoropropanoate
MFCD02324953
ZINC000002050166
ZINC000002050167

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Available files

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