Vitas-M small molecule compound

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

Catalog ID
STL051602
SMILES COc1ccc(cc1[O-])/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+]

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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 C20H16N8O6 MW 464.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N8O6/c1-31-13-4-2-10(6-12(13)29)8-22-24-20(30)16-17(11-3-5-14-15(7-11)33-9-32-14)28(27-23-16)19-18(21)25-34-26-19/h2-8,29H,9H2,1H3,(H2,21,25)(H,24,30)/b22-8+
InChIKey
OLAYWOBOPBDDNO-GZIVZEMBSA-N
Synonyms
862116-17-4
862116174
COc1ccc(cc1(O))C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1(NH3+)
MFCD05687029
ZINC000002591396

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Available files

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