Vitas-M small molecule compound
4-[(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
STL048092
SMILES CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(cc1)[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/c1-2-31-15-5-3-4-13(10-15)17-16(23-27-28(17)19-18(21)25-32-26-19)20(30)24-22-11-12-6-8-14(29)9-7-12/h3-11,29H,2H2,1H3,(H2,21,25)(H,24,30)/b22-11+InChIKey
DZUSCHYHFNYYHF-SSDVNMTOSA-NSynonyms
877803-04-84((E)((1(4azaniumyl125oxadiazol3yl)5(3ethoxyphenyl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5(3ethoxyphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
877803048
CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=CC=C(C=C4)(O)
CCOc1cccc(c1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(cc1)(O)
InChI=1SC20H18N8O4c12311553413(1015)1716(232728(17)1918(21)25322619)20(30)242211126814(29)9712h31129H2H21H3(H22125)(H2430)b2211+
MFCD05704461
ZINC000001899439
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