Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Catalog ID
STL042688
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(c(c1)OC)[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 C16H18N8O4 MW 386.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N8O4/c1-3-4-10-13(19-23-24(10)15-14(17)21-28-22-15)16(26)20-18-8-9-5-6-11(25)12(7-9)27-2/h5-8,25H,3-4H2,1-2H3,(H2,17,21)(H,20,26)/b18-8+InChIKey
HPEPOFRYHMFART-QGMBQPNBSA-NSynonyms
848931-68-04((E)((1(4azaniumyl125oxadiazol3yl)5propyltriazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
848931680
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC(=C(C=C3)(O))OC
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(c(c1)OC)(O)
InChI=1SC16H18N8O4c1341013(192324(10)1514(17)21282215)16(26)2018895611(25)12(79)272h5825H34H212H3(H21721)(H2026)b188+
MFCD03171119
ZINC000002444939
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