Vitas-M small molecule compound
methyl 4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-({2-[(4-iodophenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK565066
SMILES COC(=O)C1C(=NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)I)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 C22H17ClIN3O4S MW 581.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClIN3O4S/c1-31-22(30)19-18(14-4-2-3-5-16(14)23)15(10-25)21(27-20(19)29)32-11-17(28)26-13-8-6-12(24)7-9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)InChIKey
KGQAXUBAELISKF-UHFFFAOYSA-NSynonyms
COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)I)C#N)C3=CC=CC=C3Cl
InChI=1SC22H17ClIN3O4Sc13122(30)1918(14423516(14)23)15(1025)21(2720(19)29)321117(28)26138612(24)7913h291819H11H21H3(H2628)(H2729)
methyl4(2chlorophenyl)5cyano2hydroxy6((2((4iodophenyl)amino)2oxoethyl)sulfanyl)34dihydropyridine3carboxylate
METHYL4(2CHLOROPHENYL)5CYANO6(2(4IODOANILINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03810791
ZINC000001247456
ZINC000001247459
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