Vitas-M small molecule compound
methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK565667
SMILES CCOc1ccccc1C1C(C(=O)OC)C(=NC(=C1C#N)SCC(=O)Nc1ccc(cc1)C(=O)C)O
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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 C26H25N3O6S MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6S/c1-4-35-20-8-6-5-7-18(20)22-19(13-27)25(29-24(32)23(22)26(33)34-3)36-14-21(31)28-17-11-9-16(10-12-17)15(2)30/h5-12,22-23H,4,14H2,1-3H3,(H,28,31)(H,29,32)InChIKey
HMHJGHCLOVJUJC-UHFFFAOYSA-NSynonyms
369393-27-1CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C(=O)OC
InChI=1SC26H25N3O6Sc143520865718(20)2219(1327)25(2924(32)23(22)26(33)343)361421(31)281711916(101217)15(2)30h5122223H414H213H3(H2831)(H2932)
methyl6((2((4acetylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(2ethoxyphenyl)2hydroxy34dihydropyridine3carboxylate
METHYL6(2(4ACETYLANILINO)2OXOETHYL)SULFANYL5CYANO4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03794633
ZINC000002310703
ZINC000002310706
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