Vitas-M small molecule compound
4-[(E)-{2-[(4-aminophenyl)carbonyl]hydrazinylidene}methyl]phenyl 3,5-dinitrobenzoate
Catalog ID
STK753868
SMILES Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C21H15N5O7 MW 449.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O7/c22-16-5-3-14(4-6-16)20(27)24-23-12-13-1-7-19(8-2-13)33-21(28)15-9-17(25(29)30)11-18(10-15)26(31)32/h1-12H,22H2,(H,24,27)/b23-12+InChIKey
CPXNWEDCYMZQFM-FSJBWODESA-NSynonyms
(4((E)((4aminobenzoyl)hydrazinylidene)methyl)phenyl)35dinitrobenzoate
4((E)(2((4aminophenyl)carbonyl)hydrazinylidene)methyl)phenyl35dinitrobenzoate
C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)N)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H15N5O7c22165314(4616)20(27)242312131719(8213)3321(28)15917(25(29)30)1118(1015)26(31)32h112H22H2(H2427)b2312+
MFCD00824748
Nc1ccc(cc1)C(=O)NN=Cc1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003117351
ZINC102872944
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