Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL054328
SMILES O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/c1ccc2c(c1)OCO2
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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 C21H19N9O4 MW 461.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N9O4/c1-29(14-5-3-2-4-6-14)11-15-18(24-28-30(15)20-19(22)26-34-27-20)21(31)25-23-10-13-7-8-16-17(9-13)33-12-32-16/h2-10H,11-12H2,1H3,(H2,22,26)(H,25,31)/b23-10+InChIKey
FJRZHYWHOYMSTF-AUEPDCJTSA-NSynonyms
850720-08-0(E)1(4amino125oxadiazol3yl)N(benzo(d)(13)dioxol5ylmethylene)5((methyl(phenyl)amino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylidene)5((methyl(phenyl)amino)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)5((NMETHYLANILINO)METHYL)TRIAZOLE4CARBOXAMIDE
850720080
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5
InChI=1SC21H19N9O4c129(145324614)111518(242830(15)2019(22)26342720)21(31)25231013781617(913)33123216h210H1112H21H3(H22226)(H2531)b2310+
MFCD05692455
O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)NN=Cc1ccc2c(c1)OCO2
ZINC000002390809
ZINC33364835
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