Vitas-M small molecule compound
4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-3-nitrobenzonitrile
Catalog ID
STK281028
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])/C=N/N1C(=O)C2C(C1=O)C1CCC2C=C1
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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 C18H14N4O4 MW 350.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O4/c19-8-10-1-2-13(14(7-10)22(25)26)9-20-21-17(23)15-11-3-4-12(6-5-11)16(15)18(21)24/h1-4,7,9,11-12,15-16H,5-6H2/b20-9+InChIKey
FZBYXJYYJAGPKD-AWQFTUOYSA-NSynonyms
4((E)((13dioxo133a477ahexahydro2H47ethanoisoindol2yl)imino)methyl)3nitrobenzonitrile
C1CC2C=CC1C3C2C(=O)N(C3=O)N=CC4=C(C=C(C=C4)C#N)(N+)(=O)(O)
InChI=1SC18H14N4O4c198101213(14(710)22(25)26)9202117(23)15113412(6511)16(15)18(21)24h147911121516H56H2b209+
MFCD01202720
N#Cc1ccc(c(c1)(N+)(=O)(O))C=NN1C(=O)C2C(C1=O)C1CCC2C=C1
ZINC000100216268
ZINC000105410615
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