Vitas-M small molecule compound
4-[(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]-2-methoxyphenolate
Catalog ID
STL050168
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN(C2CCCCC2)C)c2nonc2[NH3+])ccc1[O-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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(14-6-4-3-5-7-14)12-15-18(24-28-30(15)20-19(22)26-34-27-20)21(32)25-23-11-13-8-9-16(31)17(10-13)33-2/h8-11,14,31H,3-7,12H2,1-2H3,(H2,22,26)(H,25,32)/b23-11+InChIKey
YHBPDVKZCDKCHD-FOKLQQMPSA-NSynonyms
861148-58-54((E)((1(4azaniumyl125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
861148585
CN(CC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC(=C(C=C3)(O))OC)C4CCCCC4
COc1cc(C=NNC(=O)c2nnn(c2CN(C2CCCCC2)C)c2nonc2(NH3+))ccc1(O)
InChI=1SC21H27N9O4c129(146435714)121518(242830(15)2019(22)26342720)21(32)252311138916(31)17(1013)332h8111431H3712H212H3(H22226)(H2532)b2311+
MFCD05684427
ZINC000001869237
Check stock
See real-time availability and sample size for STL050168 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.