Vitas-M small molecule compound

4-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)propyl]phenolate

Catalog ID
STL050768
SMILES CC/C(=N\NC(=O)c1nnn(c1C(C)C)c1nonc1[NH3+])/c1ccc(cc1)[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 C17H20N8O3 MW 384.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N8O3/c1-4-12(10-5-7-11(26)8-6-10)19-21-17(27)13-14(9(2)3)25(24-20-13)16-15(18)22-28-23-16/h5-9,26H,4H2,1-3H3,(H2,18,22)(H,21,27)/b19-12+
InChIKey
YMPGQSBQABTMMS-XDHOZWIPSA-N
Synonyms
578001-48-6
578001486
CCC(=NNC(=O)c1nnn(c1C(C)C)c1nonc1(NH3+))c1ccc(cc1)(O)
MFCD04022869
ZINC000009357710

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Available files

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