Vitas-M small molecule compound
benzyl 6-[(2-chlorobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886036
SMILES N#CC1=C(SCc2ccccc2Cl)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 C28H22Cl2N2O2S MW 521.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Cl2N2O2S/c1-18-25(28(33)34-16-19-7-3-2-4-8-19)26(20-11-13-22(29)14-12-20)23(15-31)27(32-18)35-17-21-9-5-6-10-24(21)30/h2-14,26,32H,16-17H2,1H3InChIKey
KTLSFMRBGVSFSM-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)6((2chlorophenyl)methylsulfanyl)5cyano2methyl14dihydropyridine3carboxylate
benzyl6((2chlorobenzyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC2=CC=CC=C2Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC28H22Cl2N2O2Sc11825(28(33)3416197324819)26(20111322(29)141220)23(1531)27(3218)3517219561024(21)30h2142632H1617H21H3
MFCD10086582
ZINC000020347838
ZINC000020347840
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