Vitas-M small molecule compound
methyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,5-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK559301
SMILES COC(=O)C1C(=NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cc(Cl)cc(c1)Cl)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 C22H16Cl3N3O4S MW 524.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl3N3O4S/c1-32-22(31)19-18(11-2-4-12(23)5-3-11)16(9-26)21(28-20(19)30)33-10-17(29)27-15-7-13(24)6-14(25)8-15/h2-8,18-19H,10H2,1H3,(H,27,29)(H,28,30)InChIKey
HTJMQHXZPHEMST-UHFFFAOYSA-NSynonyms
COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C#N)C3=CC=C(C=C3)Cl
InChI=1SC22H16Cl3N3O4Sc13222(31)1918(112412(23)5311)16(926)21(2820(19)30)331017(29)2715713(24)614(25)815h281819H10H21H3(H2729)(H2830)
methyl4(4chlorophenyl)5cyano6((2((35dichlorophenyl)amino)2oxoethyl)sulfanyl)2hydroxy34dihydropyridine3carboxylate
METHYL4(4CHLOROPHENYL)5CYANO6(2(35DICHLOROANILINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03815304
ZINC000002297686
ZINC000002297689
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