Vitas-M small molecule compound
4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)imino]methyl}-3-nitrobenzonitrile
Catalog ID
STL387707
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])/C=N/N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
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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 C19H14N4O4 MW 362.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O4/c20-8-10-1-2-11(14(7-10)23(26)27)9-21-22-17(24)15-12-3-4-13(16(15)18(22)25)19(12)5-6-19/h1-4,7,9,12-13,15-16H,5-6H2/b21-9+InChIKey
GLDDWSQVBNYEPI-ZVBGSRNCSA-NSynonyms
5570-48-94((E)((13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)imino)methyl)3nitrobenzonitrile
5570489
C1CC12C3C=CC2C4C3C(=O)N(C4=O)N=CC5=C(C=C(C=C5)C#N)(N+)(=O)(O)
InChI=1SC19H14N4O4c208101211(14(710)23(26)27)9212217(24)15123413(16(15)18(22)25)19(12)5619h147912131516H56H2b219+
MFCD01454898
N#Cc1ccc(c(c1)(N+)(=O)(O))C=NN1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
ZINC000105208760
ZINC000105208769
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