Vitas-M small molecule compound
methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK886197
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)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 C23H17F4N3O4S MW 507.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F4N3O4S/c1-34-22(33)19-18(12-6-2-4-8-15(12)24)13(10-28)21(30-20(19)32)35-11-17(31)29-16-9-5-3-7-14(16)23(25,26)27/h2-9,18-19H,11H2,1H3,(H,29,31)(H,30,32)InChIKey
PIPHHAZBBVKKQZ-UHFFFAOYSA-NSynonyms
COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2C(F)(F)F)C#N)C3=CC=CC=C3F
InChI=1SC23H17F4N3O4Sc13422(33)1918(12624815(12)24)13(1028)21(3020(19)32)351117(31)2916953714(16)23(2526)27h291819H11H21H3(H2931)(H3032)
methyl5cyano4(2fluorophenyl)2oxo6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
methyl5cyano4(2fluorophenyl)2oxo6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl34dihydro1Hpyridine3carboxylate
MFCD10086672
ZINC000012250471
ZINC000012250474
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