Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826895
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCCN1C(=O)c2c(C1=O)cccc2)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 C31H24ClN3O4S MW 570.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24ClN3O4S/c1-2-39-31(38)26-25(22-14-8-9-15-24(22)32)23(18-33)28(34-27(26)19-10-4-3-5-11-19)40-17-16-35-29(36)20-12-6-7-13-21(20)30(35)37/h3-15,25,34H,2,16-17H2,1H3InChIKey
POVJNFFVVQJZGE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
ethyl4(2chlorophenyl)5cyano6((2(13dioxo13dihydro2Hisoindol2yl)ethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(13dioxoisoindol2yl)ethylsulfanyl)2phenyl14dihydropyridine3carboxylate
InChI=1SC31H24ClN3O4Sc123931(38)2625(2214891524(22)32)23(1833)28(3427(26)19104351119)4017163529(36)2012671321(20)30(35)37h3152534H21617H21H3
MFCD10086856
ZINC000102808535
ZINC000102808538
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