Vitas-M small molecule compound
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK725908
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2C)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 C28H30ClN3O3S MW 524.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O3S/c1-16-8-7-9-22(17(16)2)32-23(33)15-36-26-21(14-30)25(19-10-12-20(29)13-11-19)24(18(3)31-26)27(34)35-28(4,5)6/h7-13,25,31H,15H2,1-6H3,(H,32,33)InChIKey
ZJGCQQZYMRKMJM-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C#N)C
InChI=1SC28H30ClN3O3Sc11687922(17(16)2)3223(33)15362621(1430)25(19101220(29)131119)24(18(3)3126)27(34)3528(45)6h7132531H15H216H3(H3233)
MFCD02110365
tertbutyl4(4chlorophenyl)5cyano6((2((23dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)5cyano6((2((23dimethylphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
TERTBUTYL4(4CHLOROPHENYL)5CYANO6(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL6((N(23DIMETHYLPHENYL)CARBAMOYL)METHYLTHIO)4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019939737
ZINC000019939738
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