Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK599263
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN(c2ccccc2)C)c2nonc2N)ccc1O

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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 C21H21N9O4 MW 463.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N9O4/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/h3-11,31H,12H2,1-2H3,(H2,22,26)(H,25,32)/b23-11+
InChIKey
JQORLDXERAYOST-FOKLQQMPSA-N
Synonyms
877794-26-8
(E)1(4amino125oxadiazol3yl)N(4hydroxy3methoxybenzylidene)5((methyl(phenyl)amino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4hydroxy3methoxyphenyl)methylidene)5((methyl(phenyl)amino)methyl)1H123triazole4carbohydrazide
877794268
COc1cc(C=NNC(=O)c2nnn(c2CN(c2ccccc2)C)c2nonc2N)ccc1O
MFCD05702811
ZINC000009293462

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.