Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK938615
SMILES CCOC(=O)C1C(=NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1)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 C23H20ClN3O4S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O4S/c1-2-31-23(30)20-19(15-10-6-7-11-17(15)24)16(12-25)22(27-21(20)29)32-13-18(28)26-14-8-4-3-5-9-14/h3-11,19-20H,2,13H2,1H3,(H,26,28)(H,27,29)InChIKey
XHMBNPWOWMWRPZ-UHFFFAOYSA-NSynonyms
370850-24-1370850241
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl
ethyl4(2chlorophenyl)5cyano2hydroxy6((2oxo2(phenylamino)ethyl)sulfanyl)34dihydropyridine3carboxylate
ETHYL6(2ANILINO2OXOETHYL)SULFANYL4(2CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC23H20ClN3O4Sc123123(30)2019(1510671117(15)24)16(1225)22(2721(20)29)321318(28)26148435914h3111920H213H21H3(H2628)(H2729)
MFCD18179004
ZINC000002310287
ZINC000002310290
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