Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363673
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Cl)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 C27H27Cl2NO3S MW 516.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2NO3S/c1-3-34-12-11-33-27(32)24-16(2)30-22-14-19(17-7-9-20(28)10-8-17)15-23(31)26(22)25(24)18-5-4-6-21(29)13-18/h4-10,13,19,25,30H,3,11-12,14-15H2,1-2H3InChIKey
YSEBWIDQSSRRPZ-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3chlorophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3chlorophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC27H27Cl2NO3Sc133412113327(32)2416(2)30221419(177920(28)10817)1523(31)26(22)25(24)1854621(29)1318h41013192530H311121415H212H3
MFCD01528065
ZINC000002923167
ZINC000002923180
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