Vitas-M small molecule compound
4-[(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
STL056343
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2[NH3+])ccc1[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 C20H16N8O6 MW 464.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N8O6/c1-31-14-6-10(2-4-12(14)29)8-22-24-20(30)16-17(11-3-5-13-15(7-11)33-9-32-13)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
KNLNBJHKMMUCDP-GZIVZEMBSA-NSynonyms
861121-11-1861121111
COc1cc(C=NNC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2(NH3+))ccc1(O)
MFCD05683336
ZINC000001881188
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Check stock on Vitas-MAvailable files
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