Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886021
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccccc1Cl)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 C29H23ClFN3O3S MW 548.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClFN3O3S/c1-18-26(29(36)37-16-19-7-3-2-4-8-19)27(22-9-5-6-10-24(22)30)23(15-32)28(33-18)38-17-25(35)34-21-13-11-20(31)12-14-21/h2-14,27,33H,16-17H2,1H3,(H,34,35)InChIKey
ORORXFTWIFGTGW-UHFFFAOYSA-NSynonyms
benzyl4(2chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano6(2(4fluoroanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23ClFN3O3Sc11826(29(36)3716197324819)27(229561024(22)30)23(1532)28(3318)381725(35)3421131120(31)121421h2142733H1617H21H3(H3435)
MFCD10086562
ZINC000101562730
ZINC000101562736
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