Vitas-M small molecule compound
methyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366673
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1C(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 C21H22F3NO3 MW 393.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO3/c1-11-16(19(27)28-4)17(12-7-5-6-8-13(12)21(22,23)24)18-14(25-11)9-20(2,3)10-15(18)26/h5-8,17,25H,9-10H2,1-4H3InChIKey
HCSGOORIWPJLHV-UHFFFAOYSA-NSynonyms
126342-51-6126342516
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3C(F)(F)F)C(=O)OC
InChI=1SC21H22F3NO3c11116(19(27)284)17(12756813(12)21(2223)24)1814(2511)920(23)1015(18)26h581725H910H214H3
methyl277trimethyl5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
methyl277trimethyl5oxo4(2(trifluoromethyl)phenyl)1468tetrahydroquinoline3carboxylate
MFCD00356435
ZINC000003018571
ZINC000003018576
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Check stock on Vitas-MAvailable files
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