Vitas-M small molecule compound

benzyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK538582
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)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 C30H25ClN2O4S MW 545.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O4S/c1-20-27(30(35)37-18-22-10-6-3-7-11-22)28(23-12-14-24(31)15-13-23)25(16-32)29(33-20)38-19-26(34)36-17-21-8-4-2-5-9-21/h2-15,28,33H,17-19H2,1H3
InChIKey
NUQFXSMWODNSJK-UHFFFAOYSA-N
Synonyms
369398-39-0
369398390
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2OXO2PHENYLMETHOXYETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
benzyl6((2(benzyloxy)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
benzyl6((2(benzyloxy)2oxoethyl)thio)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H25ClN2O4Sc12027(30(35)371822106371122)28(23121424(31)151323)25(1632)29(3320)381926(34)3617218425921h2152833H1719H21H3
MFCD03000444
ZINC000002311150
ZINC000097951267

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.