Vitas-M small molecule compound
methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-{[(2,4-dichlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Catalog ID
STK529984
SMILES COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)c1ccc(cc1Cl)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 C19H16Cl2F3N3O3S MW 494.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Cl2F3N3O3S/c1-4-11-9(2)31-16(13(11)8-25)27-18(17(29)30-3,19(22,23)24)26-15(28)12-6-5-10(20)7-14(12)21/h5-7,27H,4H2,1-3H3,(H,26,28)InChIKey
UFLWLPOMKJFCBM-UHFFFAOYSA-NSynonyms
372970-56-4CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C
METHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)2((24DICHLOROBENZOYL)AMINO)333TRIFLUOROPROPANOATE
methyl2((3cyano4ethyl5methylthiophen2yl)amino)2(24dichlorobenzamido)333trifluoropropanoate
methylN(3cyano4ethyl5methylthiophen2yl)2(((24dichlorophenyl)carbonyl)amino)333trifluoroalaninate
Registry IDs
MFCD01954666ZINC000002287225
ZINC000002287226
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