Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK826540
SMILES CCOc1ccccc1NC(=O)CSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccc(cc1)C
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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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-4-33-19-8-6-5-7-18(19)27-20(29)14-34-24-17(13-26)21(16-11-9-15(2)10-12-16)22(23(30)28-24)25(31)32-3/h5-12,21-22H,4,14H2,1-3H3,(H,27,29)(H,28,30)InChIKey
UIHZVHVMKQXOMK-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)C)C#N
InChI=1SC25H25N3O5Sc143319865718(19)2720(29)14342417(1326)21(1611915(2)101216)22(23(30)2824)25(31)323h5122122H414H213H3(H2729)(H2830)
methyl5cyano6((2((2ethoxyphenyl)amino)2oxoethyl)sulfanyl)4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano6(2(2ethoxyanilino)2oxoethyl)sulfanyl4(4methylphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD10086505
ZINC000012250312
ZINC000012250315
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