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]-4-chlorophenolate
Catalog ID
STL055102
SMILES CN(C1CCCCC1)Cc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(Cl)ccc1[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 C20H24ClN9O3 MW 473.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN9O3/c1-29(14-5-3-2-4-6-14)11-15-17(24-28-30(15)19-18(22)26-33-27-19)20(32)25-23-10-12-9-13(21)7-8-16(12)31/h7-10,14,31H,2-6,11H2,1H3,(H2,22,26)(H,25,32)/b23-10+InChIKey
JLWDKYQUOVVPGE-AUEPDCJTSA-NSynonyms
849035-00-32((E)((1(4azaniumyl125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)triazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
849035003
CN(C1CCCCC1)Cc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Cl)ccc1(O)
CN(CC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=C(C=CC(=C3)Cl)(O))C4CCCCC4
InChI=1SC20H24ClN9O3c129(145324614)111517(242830(15)1918(22)26332719)20(32)25231012913(21)7816(12)31h7101431H2611H21H3(H22226)(H2532)b2310+
MFCD05682304
ZINC000001882696
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