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]phenoxy}acetate

Catalog ID
STL054148
SMILES CCCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(cc1)OCC(=O)[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 C17H18N8O5 MW 414.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N8O5/c1-2-3-12-14(20-24-25(12)16-15(18)22-30-23-16)17(28)21-19-8-10-4-6-11(7-5-10)29-9-13(26)27/h4-8H,2-3,9H2,1H3,(H2,18,22)(H,21,28)(H,26,27)/b19-8+
InChIKey
VVRYSVMCFKBLSS-UFWORHAWSA-N
Synonyms
849025-17-8
849025178
CCCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccc(cc1)OCC(=O)(O)
MFCD05681275
ZINC000002453212

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Available files

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