Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-bromo-6-methoxyphenolate
Catalog ID
STL048561
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc(cc2)C)c2nonc2[NH3+])cc(c1[O-])Br
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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 C20H17BrN8O4 MW 513.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN8O4/c1-10-3-5-12(6-4-10)16-15(24-28-29(16)19-18(22)26-33-27-19)20(31)25-23-9-11-7-13(21)17(30)14(8-11)32-2/h3-9,30H,1-2H3,(H2,22,26)(H,25,31)/b23-9+InChIKey
PXTCXNCZPSOHRZ-NUGSKGIGSA-NSynonyms
573709-86-1573709861
COc1cc(C=NNC(=O)c2nnn(c2c2ccc(cc2)C)c2nonc2(NH3+))cc(c1(O))Br
MFCD04018427
ZINC000001873844
Check stock
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Check stock on Vitas-MAvailable files
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