Vitas-M small molecule compound

ethyl {[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate

Catalog ID
STK839329
SMILES CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccccc1C

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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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-3-26-18(25)12-27-21-15(11-22)19(14-8-5-4-7-13(14)2)20-16(23-21)9-6-10-17(20)24/h4-5,7-8,19,23H,3,6,9-10,12H2,1-2H3
InChIKey
LBZPCAKFVHERJL-UHFFFAOYSA-N
Synonyms
370849-30-2
370849302
CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3C)C#N
ethyl((3cyano4(2methylphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
ethyl2((3cyano4(2methylphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetate
ethyl2((3cyano5oxo4(otolyl)145678hexahydroquinolin2yl)thio)acetate
InChI=1SC21H22N2O3Sc132618(25)12272115(1122)19(14854713(14)2)2016(2321)961017(20)24h45781923H3691012H212H3
MFCD02999480
ZINC000002309886
ZINC000002309887

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Available files

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