Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK544550
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1)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 C23H20FN3O4S MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O4S/c1-13-3-5-14(6-4-13)19-17(11-25)22(27-21(29)20(19)23(30)31-2)32-12-18(28)26-16-9-7-15(24)8-10-16/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)InChIKey
HLRAKYLCSYIWJP-UHFFFAOYSA-NSynonyms
497242-40-7497242407
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)C(=O)OC
InChI=1SC23H20FN3O4Sc1133514(6413)1917(1125)22(2721(29)20(19)23(30)312)321218(28)26169715(24)81016h3101920H12H212H3(H2628)(H2729)
methyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)thio)2oxo4(ptolyl)1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03300168
ZINC000009015366
ZINC000009319432
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