Vitas-M small molecule compound
3-{(2E)-2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrobenzylidene]hydrazinyl}-4H-1,2,4-triazol-4-amine
Catalog ID
STK757266
SMILES CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1/C=N/Nc1nncn1N)[N+](=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 C21H31N9O2 MW 441.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N9O2/c1-15-3-7-27(8-4-15)18-12-19(28-9-5-16(2)6-10-28)20(30(31)32)11-17(18)13-23-25-21-26-24-14-29(21)22/h11-16H,3-10,22H2,1-2H3,(H,25,26)/b23-13+InChIKey
ABKGGLNIWRSWJE-YDZHTSKRSA-NSynonyms
3((2E)2(24bis(4methylpiperidin1yl)5nitrobenzylidene)hydrazinyl)4H124triazol4amine
3N((E)(24bis(4methylpiperidin1yl)5nitrophenyl)methylideneamino)124triazole34diamine
CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1C=NNc1nncn1N)(N+)(=O)(O)
CC1CCN(CC1)C2=CC(=C(C=C2C=NNC3=NN=CN3N)(N+)(=O)(O))N4CCC(CC4)C
InChI=1SC21H31N9O2c1153727(8415)181219(289516(2)61028)20(30(31)32)1117(18)1323252126241429(21)22h1116H31022H212H3(H2526)b2313+
MFCD01066066
ZINC000008659855
ZINC108123245
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