Vitas-M small molecule compound
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(naphthalen-1-ylmethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK762676
SMILES N#CC1=C(SCc2cccc3c2cccc3)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 C29H27ClN2O2S MW 503.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O2S/c1-18-25(28(33)34-29(2,3)4)26(20-12-14-22(30)15-13-20)24(16-31)27(32-18)35-17-21-10-7-9-19-8-5-6-11-23(19)21/h5-15,26,32H,17H2,1-4H3InChIKey
DAZYEPGVUDQXCA-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC2=CC=CC3=CC=CC=C32)C#N)C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C
InChI=1SC29H27ClN2O2Sc11825(28(33)3429(23)4)26(20121422(30)151320)24(1631)27(3218)3517211079198561123(19)21h5152632H17H214H3
MFCD02110346
tertbutyl4(4chlorophenyl)5cyano2methyl6((naphthalen1ylmethyl)sulfanyl)14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)5cyano2methyl6((naphthalen1ylmethyl)thio)14dihydropyridine3carboxylate
TERTBUTYL4(4CHLOROPHENYL)5CYANO2METHYL6(NAPHTHALEN1YLMETHYLSULFANYL)14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL4(4CHLOROPHENYL)5CYANO2METHYL6(NAPHTHYLMETHYLTHIO)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019939882
ZINC000019939883
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