Vitas-M small molecule compound
cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK046379
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
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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 C31H34ClNO5 MW 536.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO5/c1-3-37-27-17-20(11-14-25(27)34)29-28(31(36)38-23-7-5-4-6-8-23)18(2)33-24-15-21(16-26(35)30(24)29)19-9-12-22(32)13-10-19/h9-14,17,21,23,29,33-34H,3-8,15-16H2,1-2H3InChIKey
AREPECJUZZJLPH-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC5CCCCC5)C)O
CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
cyclohexyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34ClNO5c1337271720(111425(27)34)2928(31(36)38237546823)18(2)33241521(1626(35)30(24)29)1991222(32)131019h914172123293334H381516H212H3
MFCD01590172
STK046379
ZINC000059706380
ZINC000059706384
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