Vitas-M small molecule compound

methyl 2-methyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL173096
SMILES COC(=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 C26H23F3N2O6 MW 516.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23F3N2O6/c1-14-22(25(33)36-2)23(24-18(30-14)7-4-8-20(24)32)16-9-10-21(19(12-16)31(34)35)37-13-15-5-3-6-17(11-15)26(27,28)29/h3,5-6,9-12,23,30H,4,7-8,13H2,1-2H3
InChIKey
OYJBSFMSVVHIAX-UHFFFAOYSA-N
Synonyms
397875-31-9
397875319
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1cccc(c1)C(F)(F)F)C(=O)CCC2
InChI=1SC26H23F3N2O6c11422(25(33)362)23(2418(3014)74820(24)32)1691021(19(1216)31(34)35)37131553617(1115)26(2728)29h3569122330H47813H212H3
methyl2methyl4(3nitro4((3(trifluoromethyl)benzyl)oxy)phenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2methyl4(3nitro4((3(trifluoromethyl)phenyl)methoxy)phenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175321
ZINC000000716025
ZINC000000716027

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Available files

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