Vitas-M small molecule compound
methyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL174213
SMILES COC(=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 C27H26F3NO5 MW 501.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO5/c1-15-23(26(33)35-3)24(25-20(31-15)8-5-9-21(25)32)16-10-11-22(34-2)17(12-16)14-36-19-7-4-6-18(13-19)27(28,29)30/h4,6-7,10-13,24,31H,5,8-9,14H2,1-3H3InChIKey
SUYMSZKXIWLCBM-UHFFFAOYSA-NSynonyms
445236-67-9445236679
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)OC
InChI=1SC27H26F3NO5c11523(26(33)353)24(2520(3115)85921(25)32)16101122(342)17(1216)14361974618(1319)27(2829)30h46710132431H58914H213H3
methyl4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02373940
ZINC000000649340
ZINC000000649343
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