Vitas-M small molecule compound
2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Catalog ID
STK886631
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC2=C(C1c1ccc3c(c1)OCO3)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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-15-6-8-19(16(2)10-15)29-24(32)13-35-27-18(12-28)25(26-20(30-27)4-3-5-21(26)31)17-7-9-22-23(11-17)34-14-33-22/h6-11,25,30H,3-5,13-14H2,1-2H3,(H,29,32)InChIKey
AGWYHGLXBGOZQT-UHFFFAOYSA-NSynonyms
383894-47-12((4(13benzodioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((4(13benzodioxol5yl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((4(benzo(d)(13)dioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(24dimethylphenyl)acetamide
383894471
CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC5=C(C=C4)OCO5)C#N)C
InChI=1SC27H25N3O4Sc1156819(16(2)1015)2924(32)13352718(1228)25(2620(3027)43521(26)31)17792223(1117)34143322h6112530H351314H212H3(H2932)
MFCD03000662
ZINC000001300336
ZINC000013174349
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