Vitas-M small molecule compound
tert-butyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK762680
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)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 C27H27Cl2N3O3S MW 544.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2N3O3S/c1-15-6-11-19(12-21(15)29)32-22(33)14-36-25-20(13-30)24(17-7-9-18(28)10-8-17)23(16(2)31-25)26(34)35-27(3,4)5/h6-12,24,31H,14H2,1-5H3,(H,32,33)InChIKey
YNBFZIDAXCUXSZ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C#N)Cl
InChI=1SC27H27Cl2N3O3Sc11561119(1221(15)29)3222(33)14362520(1330)24(177918(28)10817)23(16(2)3125)26(34)3527(34)5h6122431H14H215H3(H3233)
MFCD02110362
tertbutyl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
tertbutyl6((2((3chloro4methylphenyl)amino)2oxoethyl)thio)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
TERTBUTYL6((N(3CHLORO4METHYLPHENYL)CARBAMOYL)METHYLTHIO)4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL6(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000100090670
ZINC000100090673
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