Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)ammonio]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Catalog ID
STL052041
SMILES C[NH+](C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(=O)[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 C21H25N9O4 MW 467.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N9O4/c1-29(14-8-3-2-4-9-14)12-16-17(24-28-30(16)19-18(22)26-34-27-19)20(31)25-23-11-13-7-5-6-10-15(13)21(32)33/h5-7,10-11,14H,2-4,8-9,12H2,1H3,(H2,22,26)(H,25,31)(H,32,33)/b23-11+InChIKey
IOCFBERNEBRWIA-FOKLQQMPSA-NSynonyms
848925-96-22((E)((1(4AMINO125OXADIAZOL3YL)5((CYCLOHEXYL(METHYL)AMINO)METHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)((1(4AMINO125OXADIAZOL3YL)5((CYCLOHEXYL(METHYL)AZANIUMYL)METHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
2((E)(2((1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)ammonio)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
848925962
C(NH+)(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccccc1C(=O)(O)
C(NH+)(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=C3C(=O)(O))C4CCCCC4
InChI=1SC21H25N9O4c129(148324914)121617(242830(16)1918(22)26342719)20(31)252311137561015(13)21(32)33h57101114H248912H21H3(H22226)(H2531)(H3233)b2311+
MFCD18192696
ZINC000001881929
ZINC4469570
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.