Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenolate
Catalog ID
STK568489
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2c2ccc(cc2)[N+](=O)[O-])c2nonc2[NH3+])ccc1[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 C20H17N9O6 MW 479.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N9O6/c1-2-34-15-9-11(3-8-14(15)30)10-22-24-20(31)16-17(12-4-6-13(7-5-12)29(32)33)28(27-23-16)19-18(21)25-35-26-19/h3-10,30H,2H2,1H3,(H2,21,25)(H,24,31)/b22-10+InChIKey
VWYLJVQWUFWBSH-LSHDLFTRSA-NSynonyms
585559-24-64((E)((1(4azaniumyl125oxadiazol3yl)5(4nitrophenyl)triazole4carbonyl)hydrazinylidene)methyl)2ethoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5(4nitrophenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2ethoxyphenolate
585559246
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))C4=CC=C(C=C4)(N+)(=O)(O))(O)
CCOc1cc(C=NNC(=O)c2nnn(c2c2ccc(cc2)(N+)(=O)(O))c2nonc2(NH3+))ccc1(O)
InChI=1SC20H17N9O6c123415911(3814(15)30)10222420(31)1617(124613(7512)29(32)33)28(272316)1918(21)25352619h31030H2H21H3(H22125)(H2431)b2210+
MFCD03171306
ZINC000001871068
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