Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826383
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1c(C)cccc1C
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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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-5-13-34-27(33)23-18(4)30-26(21(14-29)24(23)19-9-11-20(28)12-10-19)35-15-22(32)31-25-16(2)7-6-8-17(25)3/h5-12,24,30H,1,13,15H2,2-4H3,(H,31,32)InChIKey
KDIRCBWPEXGTNH-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=C(C=C3)Cl)C#N
InChI=1SC27H26ClN3O3Sc15133427(33)2318(4)3026(21(1429)24(23)1991120(28)121019)351522(32)312516(2)76817(25)3h5122430H11315H224H3(H3132)
MFCD10086269
prop2en1yl4(4chlorophenyl)5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
prop2enyl4(4chlorophenyl)5cyano6(2(26dimethylanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
ZINC000020347550
ZINC000020347551
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