Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-bromo-6-methoxyphenolate
Catalog ID
STK570697
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C[NH+](C)C)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 C16H18BrN9O4 MW 480.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN9O4/c1-25(2)7-10-12(20-24-26(10)15-14(18)22-30-23-15)16(28)21-19-6-8-4-9(17)13(27)11(5-8)29-3/h4-6,27H,7H2,1-3H3,(H2,18,22)(H,21,28)/b19-6+InChIKey
XVWPVKRUMCKXTM-KPSZGOFPSA-NSynonyms
840499-12-9840499129
COc1cc(C=NNC(=O)c2nnn(c2C(NH+)(C)C)c2nonc2N)cc(c1(O))Br
MFCD03339421
ZINC000001897084
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