Vitas-M small molecule compound
ethyl [(3-cyano-4-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]acetate
Catalog ID
STL353004
SMILES CC1C(=C(NC2=C1C(=O)CCC2)SCC(=O)OCC)C#N
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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 C15H18N2O3S MW 306.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O3S/c1-3-20-13(19)8-21-15-10(7-16)9(2)14-11(17-15)5-4-6-12(14)18/h9,17H,3-6,8H2,1-2H3InChIKey
OWOPSUMVURRAJU-UHFFFAOYSA-NSynonyms
332050-50-7332050507
CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C)C#N
ethyl((3cyano4methyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
ethyl2((3cyano4methyl5oxo145678hexahydroquinolin2yl)thio)acetate
ethyl2((3cyano4methyl5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetate
InChI=1SC15H18N2O3Sc132013(19)8211510(716)9(2)1411(1715)54612(14)18h917H368H212H3
MFCD01238980
ZINC000100560258
ZINC000100560259
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