Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL003308
SMILES COc1cccc(c1OC)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)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 C21H20N8O4 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O4/c1-12-7-9-13(10-8-12)17-16(24-28-29(17)20-19(22)26-33-27-20)21(30)25-23-11-14-5-4-6-15(31-2)18(14)32-3/h4-11H,1-3H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey
XUVPMXKLNKPSEP-FOKLQQMPSA-N
Synonyms
575466-41-0
(E)1(4amino125oxadiazol3yl)N(23dimethoxybenzylidene)5(ptolyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(23dimethoxyphenyl)methylidene)5(4methylphenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(23DIMETHOXYPHENYL)METHYLIDENEAMINO)5(4METHYLPHENYL)TRIAZOLE4CARBOXAMIDE
575466410
CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C(=CC=C4)OC)OC
COc1cccc(c1OC)C=NNC(=O)c1nnn(c1c1ccc(cc1)C)c1nonc1N
InChI=1SC21H20N8O4c1127913(10812)1716(242829(17)2019(22)26332720)21(30)2523111454615(312)18(14)323h411H13H3(H22226)(H2530)b2311+
MFCD04026046
ZINC000002375356
ZINC33364057

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Available files

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