Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK036627
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C29H33ClN2O3S MW 525.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33ClN2O3S/c1-5-36-15-14-35-29(34)26-18(2)31-24-16-21(19-6-10-22(30)11-7-19)17-25(33)28(24)27(26)20-8-12-23(13-9-20)32(3)4/h6-13,21,27,31H,5,14-17H2,1-4H3InChIKey
AQRKGYDGYZKOAM-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4chlorophenyl)4(4(dimethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)Cl
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC29H33ClN2O3Sc153615143529(34)2618(2)31241621(1961022(30)11719)1725(33)28(24)27(26)2081223(13920)32(3)4h613212731H51417H214H3
MFCD01528044
STK036627
ZINC000002757941
ZINC000002926689
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