Vitas-M small molecule compound

4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-bromo-6-methoxyphenolate

Catalog ID
STL040627
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cc(Br)c(c(c1)OC)[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 C16H17BrN8O4 MW 465.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN8O4/c1-3-4-10-12(20-24-25(10)15-14(18)22-29-23-15)16(27)21-19-7-8-5-9(17)13(26)11(6-8)28-2/h5-7,26H,3-4H2,1-2H3,(H2,18,22)(H,21,27)/b19-7+
InChIKey
AAWLZGQQGGUKOM-FBCYGCLPSA-N
Synonyms
849826-44-4
849826444
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cc(Br)c(c(c1)OC)(O)
MFCD05688156
ZINC000001815369

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.