Vitas-M small molecule compound
2-methylpropyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363623
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCC(C)C
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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 C35H36ClNO5 MW 586.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClNO5/c1-21(2)19-42-35(39)32-22(3)37-28-16-26(24-10-13-27(36)14-11-24)17-29(38)34(28)33(32)25-12-15-30(31(18-25)40-4)41-20-23-8-6-5-7-9-23/h5-15,18,21,26,33,37H,16-17,19-20H2,1-4H3InChIKey
VASDZXMKSPFRGD-UHFFFAOYSA-NSynonyms
2methylpropyl4(4(benzyloxy)3methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl7(4chlorophenyl)4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)OCC(C)C
InChI=1SC35H36ClNO5c121(2)194235(39)3222(3)37281626(24101327(36)141124)1729(38)34(28)33(32)25121530(31(1825)404)4120238657923h5151821263337H16171920H214H3
MFCD01446337
ZINC000100561787
ZINC000100561792
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