Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538233
SMILES N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C
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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 C33H26ClN3O3S MW 580.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClN3O3S/c1-21-30(33(39)40-19-22-7-3-2-4-8-22)31(24-11-14-26(34)15-12-24)28(18-35)32(36-21)41-20-29(38)37-27-16-13-23-9-5-6-10-25(23)17-27/h2-17,31,36H,19-20H2,1H3,(H,37,38)InChIKey
RQJSIUAVGULKOU-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano2methyl6((2(naphthalen2ylamino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2(naphthalen2ylamino)2oxoethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2(NAPHTHALEN2YLAMINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC3=CC=CC=C3C=C2)C#N)C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5
InChI=1SC33H26ClN3O3Sc12130(33(39)4019227324822)31(24111426(34)151224)28(1835)32(3621)412029(38)37271613239561025(23)1727h2173136H1920H21H3(H3738)
MFCD02999812
ZINC000098000057
ZINC000098000058
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