Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826636
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)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 C29H23Cl2N3O3S MW 564.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23Cl2N3O3S/c1-18-26(29(36)37-16-19-8-3-2-4-9-19)27(22-12-5-6-13-24(22)31)23(15-32)28(33-18)38-17-25(35)34-21-11-7-10-20(30)14-21/h2-14,27,33H,16-17H2,1H3,(H,34,35)InChIKey
YRXNUVHMQPWRGM-UHFFFAOYSA-NSynonyms
benzyl4(2chlorophenyl)6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
benzyl6(2(3chloroanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC29H23Cl2N3O3Sc11826(29(36)3716198324919)27(2212561324(22)31)23(1532)28(3318)381725(35)34211171020(30)1421h2142733H1617H21H3(H3435)
MFCD10086614
ZINC000101558665
ZINC000101558671
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