Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL346701
SMILES CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)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 C21H25N9O4 MW 467.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N9O4/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/h7-10,14H,2-6,11-12H2,1H3,(H2,22,26)(H,25,31)/b23-10+InChIKey
IOBGPAKYYNRLOE-AUEPDCJTSA-NSynonyms
848989-25-3(E)1(4amino125oxadiazol3yl)N(benzo(d)(13)dioxol5ylmethylene)5((cyclohexyl(methyl)amino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylidene)5((cyclohexyl(methyl)amino)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)5((CYCLOHEXYL(METHYL)AMINO)METHYL)TRIAZOLE4CARBOXAMIDE
848989253
CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc2c(c1)OCO2
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC4=C(C=C3)OCO4)C5CCCCC5
InChI=1SC21H25N9O4c129(145324614)111518(242830(15)2019(22)26342720)21(31)25231013781617(913)33123216h71014H261112H21H3(H22226)(H2531)b2310+
MFCD05678815
ZINC000002446509
ZINC33372643
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