Vitas-M small molecule compound
ethyl 4-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173070
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1cccc(c1)Cl)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)29-20-9-6-10-21(30)26(20)25(24)18-11-12-22(23(14-18)32-3)34-15-17-7-5-8-19(28)13-17/h5,7-8,11-14,25,29H,4,6,9-10,15H2,1-3H3InChIKey
HFASIHFORJAONM-UHFFFAOYSA-NSynonyms
335402-79-4335402794
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC(=CC=C4)Cl)OC)C(=O)CCC2)C
ethyl4(4((3chlorobenzyl)oxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((3chlorophenyl)methoxy)3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28ClNO5c143327(31)2416(2)2920961021(30)26(20)25(24)18111222(23(1418)323)34151775819(28)1317h57811142529H4691015H213H3
MFCD02175138
ZINC000002759085
ZINC000002759086
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