Vitas-M small molecule compound
ethyl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK586940
SMILES CCOC(=O)C1C(=NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C)O
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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 C26H26ClN3O5S MW 528.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O5S/c1-4-34-20-9-7-6-8-17(20)22-18(13-28)25(30-24(32)23(22)26(33)35-5-2)36-14-21(31)29-16-11-10-15(3)19(27)12-16/h6-12,22-23H,4-5,14H2,1-3H3,(H,29,31)(H,30,32)InChIKey
GERRZBYYFBCOSP-UHFFFAOYSA-NSynonyms
489425-92-5CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC
ethyl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(2ethoxyphenyl)2hydroxy34dihydropyridine3carboxylate
ETHYL6(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL5CYANO4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC26H26ClN3O5Sc143420976817(20)2218(1328)25(3024(32)23(22)26(33)3552)361421(31)2916111015(3)19(27)1216h6122223H4514H213H3(H2931)(H3032)
MFCD07211404
ZINC000002269354
ZINC000002269357
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