Vitas-M small molecule compound

ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL174215
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)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 C28H28F3NO5 MW 515.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28F3NO5/c1-4-36-27(34)24-16(2)32-21-9-6-10-22(33)26(21)25(24)17-11-12-23(35-3)18(13-17)15-37-20-8-5-7-19(14-20)28(29,30)31/h5,7-8,11-14,25,32H,4,6,9-10,15H2,1-3H3
InChIKey
CLISYCFXCUKRNB-UHFFFAOYSA-N
Synonyms
445237-14-9
445237149
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)CCC2)C
ethyl4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H28F3NO5c143627(34)2416(2)3221961022(33)26(21)25(24)17111223(353)18(1317)15372085719(1420)28(2930)31h57811142532H4691015H213H3
MFCD02374419
ZINC000000649467
ZINC000000649471

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Available files

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