Vitas-M small molecule compound
2-({(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK264362
SMILES COc1cc(ccc1c1ccc(o1)/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 C23H19N3O6 MW 433.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O6/c1-31-19-8-11(26(29)30)2-4-15(19)18-7-3-12(32-18)10-24-25-22(27)20-13-5-6-14(17-9-16(13)17)21(20)23(25)28/h2-8,10,13-14,16-17,20-21H,9H2,1H3/b24-10+InChIKey
RSJWSARTQZSJNS-YSURURNPSA-NSynonyms
2(((E)(5(2methoxy4nitrophenyl)furan2yl)methylidene)amino)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
COC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6
COc1cc(ccc1c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)(N+)(=O)(O)
InChI=1SC23H19N3O6c13119811(26(29)30)2415(19)187312(3218)10242522(27)20135614(17916(13)17)21(20)23(25)28h2810131416172021H9H21H3b2410+
MFCD02294243
ZINC000252428636
ZINC000252428639
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