Vitas-M small molecule compound
ethyl 4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK960606
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1)Cl)OC)C(=O)CCC2
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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 C27H28ClNO5 MW 481.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO5/c1-4-33-27(31)24-16(2)29-21-6-5-7-22(30)26(21)25(24)17-8-13-23(32-3)18(14-17)15-34-20-11-9-19(28)10-12-20/h8-14,25,29H,4-7,15H2,1-3H3InChIKey
QWHLJJBFXQGZHW-UHFFFAOYSA-NSynonyms
445031-41-4445031414
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Cl)C(=O)CCC2)C
ethyl4(3((4chlorophenoxy)methyl)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((4chlorophenoxy)methyl)4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28ClNO5c143327(31)2416(2)292165722(30)26(21)25(24)1781323(323)18(1417)15342011919(28)101220h8142529H4715H213H3
MFCD02175484
ZINC000000648481
ZINC000000648483
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