Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK887401
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1c(C)cc(cc1C)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 C26H26ClN3O4S MW 512.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O4S/c1-5-34-26(33)22-21(17-8-6-7-9-19(17)27)18(12-28)25(30-24(22)32)35-13-20(31)29-23-15(3)10-14(2)11-16(23)4/h6-11,21-22H,5,13H2,1-4H3,(H,29,31)(H,30,32)InChIKey
RUEFITOMFJEZJA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=C(C=C(C=C2C)C)C)C#N)C3=CC=CC=C3Cl
ethyl4(2chlorophenyl)5cyano2oxo6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
ETHYL4(2CHLOROPHENYL)5CYANO2OXO6(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC26H26ClN3O4Sc153426(33)2221(17867919(17)27)18(1228)25(3024(22)32)351320(31)292315(3)1014(2)1116(23)4h6112122H513H214H3(H2931)(H3032)
MFCD05716478
ZINC000009980435
ZINC000009980452
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