Vitas-M small molecule compound
4-{(E)-2-[8-(benzyloxy)quinolin-2-yl]ethenyl}-2-methoxy-6-nitrophenyl acetate
Catalog ID
STK521886
SMILES COc1cc(/C=C/c2ccc3c(n2)c(ccc3)OCc2ccccc2)cc(c1OC(=O)C)[N+](=O)[O-]
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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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-18(30)35-27-23(29(31)32)15-20(16-25(27)33-2)11-13-22-14-12-21-9-6-10-24(26(21)28-22)34-17-19-7-4-3-5-8-19/h3-16H,17H2,1-2H3/b13-11+InChIKey
FIRKACRDMQJFCN-ACCUITESSA-NSynonyms
(2METHOXY6NITRO4((E)2(8PHENYLMETHOXYQUINOLIN2YL)ETHENYL)PHENYL)ACETATE
4((E)2(8(benzyloxy)quinolin2yl)ethenyl)2methoxy6nitrophenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=CC2=NC3=C(C=CC=C3OCC4=CC=CC=C4)C=C2)(N+)(=O)(O)
COc1cc(C=Cc2ccc3c(n2)c(ccc3)OCc2ccccc2)cc(c1OC(=O)C)(N+)(=O)(O)
InChI=1SC27H22N2O6c118(30)352723(29(31)32)1520(1625(27)332)111322141221961024(26(21)2822)3417197435819h316H17H212H3b1311+
MFCD03723115
ZINC000012379974
ZINC12379974
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