Vitas-M small molecule compound
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK764665
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)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 C27H28ClN3O3S MW 510.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3S/c1-16-6-12-20(13-7-16)31-22(32)15-35-25-21(14-29)24(18-8-10-19(28)11-9-18)23(17(2)30-25)26(33)34-27(3,4)5/h6-13,24,30H,15H2,1-5H3,(H,31,32)InChIKey
KSMDSCDCCUMXDN-UHFFFAOYSA-NSynonyms
CC1=CC=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
InChI=1SC27H28ClN3O3Sc11661220(13716)3122(32)15352521(1429)24(1881019(28)11918)23(17(2)3025)26(33)3427(34)5h6132430H15H215H3(H3132)
MFCD02235637
tertbutyl4(4chlorophenyl)5cyano2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)5cyano2methyl6((2oxo2(ptolylamino)ethyl)thio)14dihydropyridine3carboxylate
TERTBUTYL4(4CHLOROPHENYL)5CYANO2METHYL6((N(4METHYLPHENYL)CARBAMOYL)METHYLTHIO)14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL4(4CHLOROPHENYL)5CYANO2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019939866
ZINC000019939867
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