Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826743
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1C)c1ccccc1
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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 C30H26ClN3O3S MW 544.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O3S/c1-3-37-30(36)27-26(21-14-8-9-15-23(21)31)22(17-32)29(34-28(27)20-12-5-4-6-13-20)38-18-25(35)33-24-16-10-7-11-19(24)2/h4-16,26,34H,3,18H2,1-2H3,(H,33,35)InChIKey
XHJKMMCCDQLUEO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC=CC=C3C)C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2((2methylphenyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(2methylanilino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC30H26ClN3O3Sc133730(36)2726(2114891523(21)31)22(1732)29(3428(27)20125461320)381825(35)3324161071119(24)2h4162634H318H212H3(H3335)
MFCD05717330
ZINC000101304997
ZINC000101304999
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