Vitas-M small molecule compound

2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide

Catalog ID
STK067364
SMILES N#Cc1cc2C(=O)CC(Cc2nc1SCC(=O)Nc1ccc(c(c1)Cl)Cl)(C)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 C20H17Cl2N3O2S MW 434.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N3O2S/c1-20(2)7-16-13(17(26)8-20)5-11(9-23)19(25-16)28-10-18(27)24-12-3-4-14(21)15(22)6-12/h3-6H,7-8,10H2,1-2H3,(H,24,27)
InChIKey
URZQZDUXRVJHBC-UHFFFAOYSA-N
Synonyms
385392-26-7
2((3cyano77dimethyl5oxo5678tetrahydroquinolin2yl)sulfanyl)N(34dichlorophenyl)acetamide
2((3cyano77dimethyl5oxo5678tetrahydroquinolin2yl)thio)N(34dichlorophenyl)acetamide
2((3CYANO77DIMETHYL5OXO68DIHYDROQUINOLIN2YL)SULFANYL)N(34DICHLOROPHENYL)ACETAMIDE
385392267
CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C#N)C(=O)C1)C
InChI=1SC20H17Cl2N3O2Sc120(2)71613(17(26)820)511(923)19(2516)281018(27)24123414(21)15(22)612h36H7810H212H3(H2427)
MFCD03015553
N#Cc1cc2C(=O)CC(Cc2nc1SCC(=O)Nc1ccc(c(c1)Cl)Cl)(C)C
STK067364
ZINC000001301551
ZINC01301551
ZINC1301551

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Available files

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