Vitas-M small molecule compound
methyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887303
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C1C(=O)OC)C)C#N
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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 C26H26ClN3O4S MW 512.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O4S/c1-5-34-21-9-7-6-8-18(21)24-19(13-28)25(29-16(3)23(24)26(32)33-4)35-14-22(31)30-17-11-10-15(2)20(27)12-17/h6-12,24,29H,5,14H2,1-4H3,(H,30,31)InChIKey
ATCJTJAWOFEVEL-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C#N
InChI=1SC26H26ClN3O4Sc153421976818(21)2419(1328)25(2916(3)23(24)26(32)334)351422(31)3017111015(2)20(27)1217h6122429H514H214H3(H3031)
methyl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(2ethoxyphenyl)2methyl14dihydropyridine3carboxylate
methyl6(2(3chloro4methylanilino)2oxoethyl)sulfanyl5cyano4(2ethoxyphenyl)2methyl14dihydropyridine3carboxylate
MFCD10088168
ZINC000020348645
ZINC000020348647
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