Vitas-M small molecule compound

2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate

Catalog ID
STL054981
SMILES Cc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccccc1C(=O)[O-]

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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 C20H16N8O4 MW 432.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N8O4/c1-11-6-8-12(9-7-11)16-15(23-27-28(16)18-17(21)25-32-26-18)19(29)24-22-10-13-4-2-3-5-14(13)20(30)31/h2-10H,1H3,(H2,21,25)(H,24,29)(H,30,31)/b22-10+
InChIKey
DTQRWLKOTDADFN-LSHDLFTRSA-N
Synonyms
587005-96-7
587005967
Cc1ccc(cc1)c1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccccc1C(=O)(O)
MFCD04033230
ZINC000002396740

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Available files

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