Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK549476
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2
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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 C26H24ClN3O4S MW 510.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O4S/c1-14-6-8-16(11-18(14)27)29-23(33)13-35-26-17(12-28)24(15-7-9-20(31)22(10-15)34-2)25-19(30-26)4-3-5-21(25)32/h6-11,24,30-31H,3-5,13H2,1-2H3,(H,29,33)InChIKey
KKOBUURFYYLXSH-UHFFFAOYSA-NSynonyms
799771-19-0799771190
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC(=C(C=C4)O)OC)C#N)Cl
InChI=1SC26H24ClN3O4Sc1146816(1118(14)27)2923(33)13352617(1228)24(157920(31)22(1015)342)2519(3026)43521(25)32h611243031H3513H212H3(H2933)
MFCD03671759
N(3chloro4methylphenyl)2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
N(3chloro4methylphenyl)2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)acetamide
N(3chloro4methylphenyl)2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
ZINC000013189324
ZINC000013189330
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