Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenolate
Catalog ID
STL041833
SMILES COc1cccc(c1[O-])/C=N/NC(=O)c1nnn(c1CN(C1CCCCC1)C)c1nonc1[NH3+]
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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 C21H27N9O4 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N9O4/c1-29(14-8-4-3-5-9-14)12-15-17(24-28-30(15)20-19(22)26-34-27-20)21(32)25-23-11-13-7-6-10-16(33-2)18(13)31/h6-7,10-11,14,31H,3-5,8-9,12H2,1-2H3,(H2,22,26)(H,25,32)/b23-11+InChIKey
KFPWZZLNJUAPEY-FOKLQQMPSA-NSynonyms
862117-75-72((E)((1(4azaniumyl125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)triazole4carbonyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenolate
862117757
CN(CC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=C(C(=CC=C3)OC)(O))C4CCCCC4
COc1cccc(c1(O))C=NNC(=O)c1nnn(c1CN(C1CCCCC1)C)c1nonc1(NH3+)
InChI=1SC21H27N9O4c129(148435914)121517(242830(15)2019(22)26342720)21(32)25231113761016(332)18(13)31h6710111431H358912H212H3(H22226)(H2532)b2311+
MFCD05687229
ZINC000001875802
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