Vitas-M small molecule compound
ethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372373
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-4-32-27(30)24-17(2)28-20-11-8-12-21(29)26(20)25(24)19-13-14-22(23(15-19)31-3)33-16-18-9-6-5-7-10-18/h5-7,9-10,13-15,25,28H,4,8,11-12,16H2,1-3H3InChIKey
MJTJEMJXYPCGCP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)CCC2)C
ethyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ethyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC27H29NO5c143227(30)2417(2)28201181221(29)26(20)25(24)19131422(23(1519)313)33161896571018h5791013152528H48111216H213H3
MFCD00753192
ZINC000003094415
ZINC000019536134
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