Vitas-M small molecule compound
ethyl 4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK959518
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1Cl)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)29-20-10-7-11-21(30)26(20)25(24)17-12-13-22(23(14-17)32-3)34-15-18-8-5-6-9-19(18)28/h5-6,8-9,12-14,25,29H,4,7,10-11,15H2,1-3H3InChIKey
GXXJYTADEFNASN-UHFFFAOYSA-NSynonyms
397875-08-0397875080
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)OC)C(=O)CCC2)C
ethyl4(4((2chlorobenzyl)oxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((2chlorophenyl)methoxy)3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28ClNO5c143327(31)2416(2)29201071121(30)26(20)25(24)17121322(23(1417)323)341518856919(18)28h568912142529H47101115H213H3
MFCD02175332
ZINC000000716167
ZINC000000716170
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