Vitas-M small molecule compound
4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)butyl]phenolate
Catalog ID
STL055177
SMILES CCC/C(=N\NC(=O)c1nnn(c1CCC)c1nonc1[NH3+])/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 C18H22N8O3 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N8O3/c1-3-5-13(11-7-9-12(27)10-8-11)20-22-18(28)15-14(6-4-2)26(25-21-15)17-16(19)23-29-24-17/h7-10,27H,3-6H2,1-2H3,(H2,19,23)(H,22,28)/b20-13+InChIKey
LIQLOCJQLUMHLI-DEDYPNTBSA-NSynonyms
849028-12-24((1E)1(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)butyl)phenolate
4((E)N((1(4AZANIUMYL125OXADIAZOL3YL)5PROPYLTRIAZOLE4CARBONYL)AMINO)CPROPYLCARBONIMIDOYL)PHENOLATE
849028122
CCCC(=NNC(=O)c1nnn(c1CCC)c1nonc1(NH3+))c1ccc(cc1)(O)
CCCC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=C(CCC)C3=CC=C(C=C3)(O)
InChI=1SC18H22N8O3c13513(117912(27)10811)202218(28)1514(642)26(252115)1716(19)23292417h71027H36H212H3(H21923)(H2228)b2013+
MFCD05681606
ZINC000009242376
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