Vitas-M small molecule compound
ethyl {[3-cyano-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK841531
SMILES CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl)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 C20H18Cl2N2O3S MW 437.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O3S/c1-2-27-16(26)10-28-20-12(9-23)17(11-5-3-6-13(21)19(11)22)18-14(24-20)7-4-8-15(18)25/h3,5-6,17,24H,2,4,7-8,10H2,1H3InChIKey
HIJXHFSWUPXIBB-UHFFFAOYSA-NSynonyms
488717-28-8488717288
CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=C(C(=CC=C3)Cl)Cl)C#N
ethyl((3cyano4(23dichlorophenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
ethyl2((3cyano4(23dichlorophenyl)5oxo145678hexahydroquinolin2yl)thio)acetate
ethyl2((3cyano4(23dichlorophenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetate
InChI=1SC20H18Cl2N2O3Sc122716(26)10282012(923)17(1153613(21)19(11)22)1814(2420)74815(18)25h3561724H247810H21H3
MFCD03291102
ZINC000013176777
ZINC000013176778
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