Vitas-M small molecule compound

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

Catalog ID
STK053009
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)CC1c1ccccc1

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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 C20H16BrN3O2S MW 442.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O2S/c21-14-6-8-15(9-7-14)23-19(26)12-27-20-17(11-22)16(10-18(25)24-20)13-4-2-1-3-5-13/h1-9,16H,10,12H2,(H,23,26)(H,24,25)
InChIKey
KFJVOGNCAAAXTJ-UHFFFAOYSA-N
Synonyms
330830-09-6
330830096
C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3
InChI=1SC20H16BrN3O2Sc21146815(9714)2319(26)12272017(1122)16(1018(25)2420)134213513h1916H1012H2(H2326)(H2425)
MFCD00355086
N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)CC1c1ccccc1
N(4BROMOPHENYL)2((3CYANO6HYDROXY4PHENYL45DIHYDROPYRIDIN2YL)SULFANYL)ACETAMIDE
N(4bromophenyl)2((3cyano6oxo4phenyl1456tetrahydropyridin2yl)sulfanyl)acetamide
N(4bromophenyl)2((3cyano6oxo4phenyl1456tetrahydropyridin2yl)thio)acetamide
N(4BROMOPHENYL)2((5CYANO2OXO4PHENYL34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETAMIDE
STK053009
ZINC000000841835

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.