Vitas-M small molecule compound

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

Catalog ID
STK594389
SMILES COc1ccc(cc1O)/C=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N

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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)25-23-11-13-8-9-17(33-2)16(31)10-13/h3-11,31H,12H2,1-2H3,(H2,22,26)(H,25,32)/b23-11+
InChIKey
SUDFCINSRUGIHB-FOKLQQMPSA-N
Synonyms
877788-69-7
(E)1(4amino125oxadiazol3yl)N(3hydroxy4methoxybenzylidene)5((methyl(phenyl)amino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3hydroxy4methoxyphenyl)methylidene)5((methyl(phenyl)amino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3hydroxy4methoxyphenyl)methylideneamino)5((Nmethylanilino)methyl)triazole4carboxamide
877788697
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OC)O)C4=CC=CC=C4
COc1ccc(cc1O)C=NNC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N
InChI=1SC21H21N9O4c129(146435714)121518(242830(15)2019(22)26342720)21(32)252311138917(332)16(31)1013h31131H12H212H3(H22226)(H2532)b2311+
MFCD05701737
ZINC000009293396
ZINC34889796

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Available files

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