Vitas-M small molecule compound
ethyl 4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961105
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1)C)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-5-33-28(31)25-18(3)29-22-7-6-8-23(30)27(22)26(25)19-11-14-24(32-4)20(15-19)16-34-21-12-9-17(2)10-13-21/h9-15,26,29H,5-8,16H2,1-4H3InChIKey
NWJKNAGMCLZAGU-UHFFFAOYSA-NSynonyms
445033-49-8445033498
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)C)C(=O)CCC2)C
ethyl4(4methoxy3((4methylphenoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4methoxy3((4methylphenoxy)methyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5c153328(31)2518(3)292276823(30)27(22)26(25)19111424(324)20(1519)16342112917(2)101321h9152629H5816H214H3
MFCD02243923
ZINC000000648741
ZINC000000648744
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