Vitas-M small molecule compound
ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK968588
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1cccc(c1)C(F)(F)F)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 C28H28F3NO5 MW 515.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28F3NO5/c1-4-36-27(34)24-16(2)32-20-9-6-10-21(33)26(20)25(24)18-11-12-22(23(14-18)35-3)37-15-17-7-5-8-19(13-17)28(29,30)31/h5,7-8,11-14,25,32H,4,6,9-10,15H2,1-3H3InChIKey
IPOLLYSFFDMDPJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)OC)C(=O)CCC2)C
ethyl4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4((3(trifluoromethyl)phenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H28F3NO5c143627(34)2416(2)3220961021(33)26(20)25(24)18111222(23(1418)353)37151775819(1317)28(2930)31h57811142532H4691015H213H3
MFCD02175359
ZINC000000673598
ZINC000000673599
ZINC00673598
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