Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096956
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C27H26F3NO3 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3NO3/c1-16-22(25(33)34-15-17-9-5-4-6-10-17)23(18-11-7-8-12-19(18)27(28,29)30)24-20(31-16)13-26(2,3)14-21(24)32/h4-12,23,31H,13-15H2,1-3H3InChIKey
GPAUHLSXFQBOAF-UHFFFAOYSA-NSynonyms
benzyl277trimethyl5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4(2(trifluoromethyl)phenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3C(F)(F)F)C(=O)OCC4=CC=CC=C4
InChI=1SC27H26F3NO3c11622(25(33)34151795461017)23(1811781219(18)27(2829)30)2420(3116)1326(23)1421(24)32h4122331H1315H213H3
MFCD00753306
O=C(C1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)(C)C)OCc1ccccc1
STK096956
ZINC000002758019
ZINC000002758020
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