Vitas-M small molecule compound
2-{[(E)-(2,4-dimethoxy-5-nitrophenyl)methylidene]amino}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK264366
SMILES COc1cc(OC)c(cc1/C=N/N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)[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 C20H19N3O6 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6/c1-28-15-7-16(29-2)14(23(26)27)5-9(15)8-21-22-19(24)17-10-3-4-11(13-6-12(10)13)18(17)20(22)25/h3-5,7-8,10-13,17-18H,6H2,1-2H3/b21-8+InChIKey
QFSVIOCYTXYYFH-ODCIPOBUSA-NSynonyms
2(((E)(24dimethoxy5nitrophenyl)methylidene)amino)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
COC1=CC(=C(C=C1C=NN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)(N+)(=O)(O))OC
COc1cc(OC)c(cc1C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)(N+)(=O)(O)
InChI=1SC20H19N3O6c12815716(292)14(23(26)27)59(15)8212219(24)17103411(13612(10)13)18(17)20(22)25h357810131718H6H212H3b218+
MFCD02294225
ZINC000252428605
ZINC000252428608
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