Vitas-M small molecule compound
3-[(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
STL051743
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1cccc(c1)[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/c1-3-5-12-13(19-23-24(12)15-14(17)21-27-22-15)16(26)20-18-9(2)10-6-4-7-11(25)8-10/h4,6-8,25H,3,5H2,1-2H3,(H2,17,21)(H,20,26)/b18-9+InChIKey
KFKYILCCDHTQOG-GIJQJNRQSA-NSynonyms
848920-16-11(4AMINO125OXADIAZOL3YL)N((E)1(3HYDROXYPHENYL)ETHYLIDENEAMINO)5PROPYLTRIAZOLE4CARBOXAMIDE
3((1E)1(2((1(4ammonio125oxadiazol3yl)5propyl1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
848920161
CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C3=CC(=CC=C3)O
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=C(c1cccc(c1)(O))C
InChI=1SC16H18N8O3c1351213(192324(12)1514(17)21272215)16(26)20189(2)1064711(25)810h46825H35H212H3(H21721)(H2026)b189+
MFCD03173110
ZINC000009210680
ZINC33590133
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