Vitas-M small molecule compound
prop-2-en-1-yl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372486
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1C(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 C21H20F3NO3 MW 391.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3NO3/c1-3-11-28-20(27)17-12(2)25-15-9-6-10-16(26)19(15)18(17)13-7-4-5-8-14(13)21(22,23)24/h3-5,7-8,18,25H,1,6,9-11H2,2H3InChIKey
OJYNYUADRROHAL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3C(F)(F)F)C(=O)OCC=C
InChI=1SC21H20F3NO3c13112820(27)1712(2)2515961016(26)19(15)18(17)13745814(13)21(2223)24h35781825H16911H22H3
MFCD00717875
prop2en1yl2methyl5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
prop2enyl2methyl5oxo4(2(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
ZINC000002069332
ZINC000002069333
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