Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-bromo-6-ethoxyphenolate
Catalog ID
STL046385
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2C[NH+]2CCOCC2)c2nonc2N)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 C19H22BrN9O5 MW 536.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN9O5/c1-2-33-14-8-11(7-12(20)16(14)30)9-22-24-19(31)15-13(10-28-3-5-32-6-4-28)29(27-23-15)18-17(21)25-34-26-18/h7-9,30H,2-6,10H2,1H3,(H2,21,25)(H,24,31)/b22-9+InChIKey
XWYTYKNXSKYVQF-LSFURLLWSA-NSynonyms
488087-65-6488087656
CCOc1cc(C=NNC(=O)c2nnn(c2C(NH+)2CCOCC2)c2nonc2N)cc(c1(O))Br
MFCD03287735
ZINC000053319343
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