Vitas-M small molecule compound
2-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Catalog ID
STL040877
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccccc1[O-])\C
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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 C16H18N8O3 MW 370.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N8O3/c1-3-6-11-13(19-23-24(11)15-14(17)21-27-22-15)16(26)20-18-9(2)10-7-4-5-8-12(10)25/h4-5,7-8,25H,3,6H2,1-2H3,(H2,17,21)(H,20,26)/b18-9+InChIKey
RNSUMNJKZIRBCO-GIJQJNRQSA-NSynonyms
848994-95-62((1E)1(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
2((E)N((1(4azaniumyl125oxadiazol3yl)5propyltriazole4carbonyl)amino)Cmethylcarbonimidoyl)phenolate
848994956
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=C(C)C3=CC=CC=C3(O)
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1ccccc1(O))C
InChI=1SC16H18N8O3c1361113(192324(11)1514(17)21272215)16(26)20189(2)10745812(10)25h457825H36H212H3(H21721)(H2026)b189+
MFCD03173109
ZINC000009234309
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