Vitas-M small molecule compound
ethyl 2-methyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173098
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1cccc(c1)C(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 C27H25F3N2O6 MW 530.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N2O6/c1-3-37-26(34)23-15(2)31-19-8-5-9-21(33)25(19)24(23)17-10-11-22(20(13-17)32(35)36)38-14-16-6-4-7-18(12-16)27(28,29)30/h4,6-7,10-13,24,31H,3,5,8-9,14H2,1-2H3InChIKey
RWMYOLWXMUBMTQ-UHFFFAOYSA-NSynonyms
397875-37-5397875375
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1cccc(c1)C(F)(F)F)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)(N+)(=O)(O))C(=O)CCC2)C
ethyl2methyl4(3nitro4((3(trifluoromethyl)benzyl)oxy)phenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2methyl4(3nitro4((3(trifluoromethyl)phenyl)methoxy)phenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H25F3N2O6c133726(34)2315(2)311985921(33)25(19)24(23)17101122(20(1317)32(35)36)38141664718(1216)27(2829)30h46710132431H358914H212H3
MFCD02175226
ZINC000000654802
ZINC000000654805
Check stock
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