Vitas-M small molecule compound
4-[(E)-{(2Z)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene}methyl]-2-ethoxyphenyl 3-methyl-4-nitrobenzoate
Catalog ID
STK089270
SMILES CCOc1cc(/C=N/N=C(/c2nonc2N)\N)ccc1OC(=O)c1ccc(c(c1)C)[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 C20H19N7O6 MW 453.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N7O6/c1-3-31-16-9-12(10-23-24-18(21)17-19(22)26-33-25-17)4-7-15(16)32-20(28)13-5-6-14(27(29)30)11(2)8-13/h4-10H,3H2,1-2H3,(H2,21,24)(H2,22,26)/b23-10+InChIKey
JXJMOQBFTZBUHR-AUEPDCJTSA-NSynonyms
(4((E)((E)(amino(4amino125oxadiazol3yl)methylidene)hydrazinylidene)methyl)2ethoxyphenyl)3methyl4nitrobenzoate
4((E)((2Z)(AMINO(4AMINO125OXADIAZOL3YL)METHYLIDENE)HYDRAZINYLIDENE)METHYL)2ETHOXYPHENYL3METHYL4NITROBENZOATE
CCOC1=C(C=CC(=C1)C=NN=C(C2=NON=C2N)N)OC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
CCOc1cc(C=NN=C(c2nonc2N)N)ccc1OC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC20H19N7O6c133116912(10232418(21)1719(22)26332517)4715(16)3220(28)135614(27(29)30)11(2)813h410H3H212H3(H22124)(H22226)b2310+
MFCD03340323
STK089270
ZINC000009724521
ZINC33749928
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