Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenolate
Catalog ID
STL052564
SMILES COc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1[O-])OC
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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 C20H18N8O5 MW 450.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O5/c1-31-13-7-3-5-11(9-13)16-15(23-27-28(16)19-18(21)25-33-26-19)20(30)24-22-10-12-6-4-8-14(32-2)17(12)29/h3-10,29H,1-2H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
ZGISTAPXUGXCSJ-LSHDLFTRSA-NSynonyms
861119-44-02((E)((1(4azaniumyl125oxadiazol3yl)5(3methoxyphenyl)triazole4carbonyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(3methoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenolate
861119440
COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C(=CC=C4)OC)(O)
COc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cccc(c1(O))OC
InChI=1SC20H18N8O5c1311373511(913)1615(232728(16)1918(21)25332619)20(30)2422101264814(322)17(12)29h31029H12H3(H22125)(H2430)b2210+
MFCD05683217
ZINC000001876540
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