Vitas-M small molecule compound

2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK064051
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)(C)C

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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 C23H26F3NO4 MW 437.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26F3NO4/c1-13-18(21(29)31-10-9-30-4)19(14-5-7-15(8-6-14)23(24,25)26)20-16(27-13)11-22(2,3)12-17(20)28/h5-8,19,27H,9-12H2,1-4H3
InChIKey
ZXOHIGJZYPUQQR-UHFFFAOYSA-N
Synonyms

2methoxyethyl277trimethyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
2methoxyethyl277trimethyl5oxo4(4(trifluoromethyl)phenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(F)(F)F)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)(C)C
InChI=1SC23H26F3NO4c11318(21(29)31109304)19(145715(8614)23(2425)26)2016(2713)1122(23)1217(20)28h581927H912H214H3
MFCD02188045
STK064051
ZINC000002190445
ZINC000002190446

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Available files

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