Vitas-M small molecule compound

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

Catalog ID
STL173044
SMILES COC(=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 C27H26F3NO5 MW 501.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO5/c1-15-23(26(33)35-3)24(25-19(31-15)8-5-9-20(25)32)17-10-11-21(22(13-17)34-2)36-14-16-6-4-7-18(12-16)27(28,29)30/h4,6-7,10-13,24,31H,5,8-9,14H2,1-3H3
InChIKey
DROPSORQYIJUKU-UHFFFAOYSA-N
Synonyms
380647-21-2
380647212
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)OC)C(=O)OC
InChI=1SC27H26F3NO5c11523(26(33)353)24(2519(3115)85920(25)32)17101121(22(1317)342)36141664718(1216)27(2829)30h46710132431H58914H213H3
methyl4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((3(trifluoromethyl)phenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175102
ZINC000000715994
ZINC000000715995

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Available files

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