Vitas-M small molecule compound
2-{(E)-2-[4-(acetyloxy)-3-nitrophenyl]ethenyl}quinolin-8-yl acetate
Catalog ID
STK521749
SMILES CC(=O)Oc1cccc2c1nc(/C=C/c1ccc(c(c1)[N+](=O)[O-])OC(=O)C)cc2
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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 C21H16N2O6 MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O6/c1-13(24)28-19-11-7-15(12-18(19)23(26)27)6-9-17-10-8-16-4-3-5-20(21(16)22-17)29-14(2)25/h3-12H,1-2H3/b9-6+InChIKey
WUEBSYLSJUXWDW-RMKNXTFCSA-NSynonyms
(4((E)2(8ACETYLOXYQUINOLIN2YL)ETHENYL)2NITROPHENYL)ACETATE
2((E)2(4(acetyloxy)3nitrophenyl)ethenyl)quinolin8ylacetate
CC(=O)OC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3OC(=O)C)C=C2)(N+)(=O)(O)
CC(=O)Oc1cccc2c1nc(C=Cc1ccc(c(c1)(N+)(=O)(O))OC(=O)C)cc2
InChI=1SC21H16N2O6c113(24)281911715(1218(19)23(26)27)69171081643520(21(16)2217)2914(2)25h312H12H3b96+
MFCD03717853
ZINC000004907113
ZINC04907113
ZINC4907113
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