Vitas-M small molecule compound

2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide

Catalog ID
STK886680
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)CC1c1ccc2c(c1)OCO2

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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 C21H16BrN3O4S MW 486.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O4S/c22-13-2-4-14(5-3-13)24-20(27)10-30-21-16(9-23)15(8-19(26)25-21)12-1-6-17-18(7-12)29-11-28-17/h1-7,15H,8,10-11H2,(H,24,27)(H,25,26)
InChIKey
GTKFAGYILQKZRA-UHFFFAOYSA-N
Synonyms
384358-58-1
2((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(4bromophenyl)acetamide
2((4(13BENZODIOXOL5YL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(4BROMOPHENYL)ACETAMIDE
2((4(benzo(d)(13)dioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)thio)N(4bromophenyl)acetamide
384358581
C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC4=C(C=C3)OCO4
InChI=1SC21H16BrN3O4Sc22132414(5313)2420(27)10302116(923)15(819(26)2521)12161718(712)29112817h1715H81011H2(H2427)(H2526)
MFCD03001040
ZINC000002312628
ZINC000002312629

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Available files

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