Vitas-M small molecule compound

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

Catalog ID
STK538079
SMILES N#CC1=C(SCc2ccccc2Cl)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(16-9-11-18(26)12-10-16)19(13-28)23(29-15)32-14-17-7-5-6-8-20(17)27/h5-12,22,29H,14H2,1-4H3
InChIKey
AABJKCCUKKCGGX-UHFFFAOYSA-N
Synonyms
370846-58-5
370846585
CC1=C(C(C(=C(N1)SCC2=CC=CC=C2Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C
InChI=1SC25H24Cl2N2O2Sc11521(24(30)3125(23)4)22(1691118(26)121016)19(1328)23(2915)321417756820(17)27h5122229H14H214H3
MFCD02999255
TERTBUTYL4(4CHLOROPHENYL)6((2CHLOROPHENYL)METHYLSULFANYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
tertbutyl6((2chlorobenzyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
tertbutyl6((2chlorobenzyl)thio)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ZINC000020025959
ZINC000020025961

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Available files

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