Vitas-M small molecule compound
methyl 5-cyano-4-(4-methylphenyl)-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK827087
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(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 C24H23N3O4S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4S/c1-14-4-8-16(9-5-14)20-18(12-25)23(27-22(29)21(20)24(30)31-3)32-13-19(28)26-17-10-6-15(2)7-11-17/h4-11,20-21H,13H2,1-3H3,(H,26,28)(H,27,29)InChIKey
VHACOBVZTNPBBK-UHFFFAOYSA-NSynonyms
383896-61-5383896615
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C)C(=O)OC
InChI=1SC24H23N3O4Sc1144816(9514)2018(1225)23(2722(29)21(20)24(30)313)321319(28)261710615(2)71117h4112021H13H213H3(H2628)(H2729)
methyl5cyano2oxo6((2oxo2(ptolylamino)ethyl)thio)4(ptolyl)1234tetrahydropyridine3carboxylate
methyl5cyano4(4methylphenyl)6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(4METHYLANILINO)2OXOETHYL)SULFANYL4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03000798
ZINC000002312326
ZINC000002312329
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