Vitas-M small molecule compound
tert-butyl 6-[(4-chlorobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887413
SMILES N#CC1=C(SCc2ccc(cc2)Cl)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 C25H24Cl2N2O2S MW 487.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24Cl2N2O2S/c1-15-21(24(30)31-25(2,3)4)22(17-7-11-19(27)12-8-17)20(13-28)23(29-15)32-14-16-5-9-18(26)10-6-16/h5-12,22,29H,14H2,1-4H3InChIKey
DZRGHWXYVHMMJB-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C
InChI=1SC25H24Cl2N2O2Sc11521(24(30)3125(23)4)22(1771119(27)12817)20(1328)23(2915)3214165918(26)10616h5122229H14H214H3
MFCD05716477
TERTBUTYL4(4CHLOROPHENYL)6((4CHLOROPHENYL)METHYLSULFANYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
tertbutyl6((4chlorobenzyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000027550289
ZINC000027550293
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