Vitas-M small molecule compound
methyl 5-cyano-4-(4-ethoxyphenyl)-6-[(2-{[2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK886206
SMILES CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCC(=O)Nc1ccccc1C(=O)OC
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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 C26H25N3O7S MW 523.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O7S/c1-4-36-16-11-9-15(10-12-16)21-18(13-27)24(29-23(31)22(21)26(33)35-3)37-14-20(30)28-19-8-6-5-7-17(19)25(32)34-2/h5-12,21-22H,4,14H2,1-3H3,(H,28,30)(H,29,31)InChIKey
VIPMBTYGPFQHJS-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC)C(=O)OC
InChI=1SC26H25N3O7Sc14361611915(101216)2118(1327)24(2923(31)22(21)26(33)353)371420(30)2819865717(19)25(32)342h5122122H414H213H3(H2830)(H2931)
methyl5cyano4(4ethoxyphenyl)6((2((2(methoxycarbonyl)phenyl)amino)2oxoethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano4(4ethoxyphenyl)6(2(2methoxycarbonylanilino)2oxoethyl)sulfanyl2oxo34dihydro1Hpyridine3carboxylate
MFCD10086678
ZINC000012250483
ZINC000012250486
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