Vitas-M small molecule compound
3-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
Catalog ID
STL056737
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1)[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 C20H18N8O4 MW 434.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O4/c1-2-31-15-8-4-6-13(10-15)17-16(23-27-28(17)19-18(21)25-32-26-19)20(30)24-22-11-12-5-3-7-14(29)9-12/h3-11,29H,2H2,1H3,(H2,21,25)(H,24,30)/b22-11+InChIKey
JSWDYMZNSVYPFU-SSDVNMTOSA-NSynonyms
877623-18-2877623182
CCOc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cccc(c1)(O)
MFCD05706581
ZINC000002596198
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