Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK063232
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2)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 C25H22F3NO3 MW 441.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-6-3-2-4-7-16)22(23-19(29-15)8-5-9-20(23)30)17-10-12-18(13-11-17)25(26,27)28/h2-4,6-7,10-13,22,29H,5,8-9,14H2,1H3InChIKey
AEKKKQZGFKZCDI-UHFFFAOYSA-NSynonyms
346716-12-9346716129
benzyl2methyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4
InChI=1SC25H22F3NO3c11521(24(31)3214166324716)22(2319(2915)85920(23)30)17101218(131117)25(2627)28h246710132229H58914H21H3
MFCD02105321
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2)OCc1ccccc1
STK063232
ZINC000000718181
ZINC000000718182
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