Vitas-M small molecule compound
ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK972163
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COCC(F)(F)F)OC)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 C23H26F3NO5 MW 453.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26F3NO5/c1-4-32-22(29)19-13(2)27-16-6-5-7-17(28)21(16)20(19)14-8-9-18(30-3)15(10-14)11-31-12-23(24,25)26/h8-10,20,27H,4-7,11-12H2,1-3H3InChIKey
WMXRZNSWULNXON-UHFFFAOYSA-NSynonyms
352687-03-7352687037
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COCC(F)(F)F)C(=O)CCC2)C
ethyl4(4methoxy3((222trifluoroethoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4methoxy3(222trifluoroethoxymethyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H26F3NO5c143222(29)1913(2)271665717(28)21(16)20(19)148918(303)15(1014)11311223(2425)26h8102027H471112H213H3
MFCD01450397
ZINC000000996602
ZINC000000996603
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