Vitas-M small molecule compound

tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK827112
SMILES N#CC1=C(SCC(=O)c2ccccc2)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 C26H25ClN2O3S MW 481.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O3S/c1-16-22(25(31)32-26(2,3)4)23(18-10-12-19(27)13-11-18)20(14-28)24(29-16)33-15-21(30)17-8-6-5-7-9-17/h5-13,23,29H,15H2,1-4H3
InChIKey
ZCCTVMUXGFAYNB-UHFFFAOYSA-N
Synonyms
384357-89-5
384357895
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C
InChI=1SC26H25ClN2O3Sc11622(25(31)3226(23)4)23(18101219(27)131118)20(1428)24(2916)331521(30)178657917h5132329H15H214H3
MFCD03000995
tertbutyl4(4chlorophenyl)5cyano2methyl6((2oxo2phenylethyl)sulfanyl)14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)5cyano2methyl6((2oxo2phenylethyl)thio)14dihydropyridine3carboxylate
TERTBUTYL4(4CHLOROPHENYL)5CYANO2METHYL6PHENACYLSULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020029145
ZINC000020029146

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Available files

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