Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363668
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)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 C27H27BrClNO3S MW 560.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrClNO3S/c1-3-34-13-12-33-27(32)24-16(2)30-22-14-18(17-8-10-19(29)11-9-17)15-23(31)26(22)25(24)20-6-4-5-7-21(20)28/h4-11,18,25,30H,3,12-15H2,1-2H3InChIKey
FNBWEXNJYGFLEB-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(2bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(2bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Br)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC27H27BrClNO3Sc133413123327(32)2416(2)30221418(1781019(29)11917)1523(31)26(22)25(24)20645721(20)28h411182530H31215H212H3
MFCD01528056
ZINC000100564372
ZINC000100564375
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