Vitas-M small molecule compound

methyl 5-cyano-4-(4-methylphenyl)-2-oxo-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK885950
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccccc1C(F)(F)F

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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 C24H20F3N3O4S MW 503.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F3N3O4S/c1-13-7-9-14(10-8-13)19-15(11-28)22(30-21(32)20(19)23(33)34-2)35-12-18(31)29-17-6-4-3-5-16(17)24(25,26)27/h3-10,19-20H,12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
SUWHZFFKLBWUHI-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)OC
InChI=1SC24H20F3N3O4Sc1137914(10813)1915(1128)22(3021(32)20(19)23(33)342)351218(31)2917643516(17)24(2526)27h3101920H12H212H3(H2931)(H3032)
methyl5cyano4(4methylphenyl)2oxo6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
methyl5cyano4(4methylphenyl)2oxo6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl34dihydro1Hpyridine3carboxylate
MFCD10086509
ZINC000012250324
ZINC000012250327

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Available files

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