Vitas-M small molecule compound

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

Catalog ID
STL049875
SMILES CC/C(=N\NC(=O)c1nnn(c1CSc1ccccc1)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 C21H20N8O3S MW 464.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O3S/c1-2-16(13-8-10-14(30)11-9-13)23-25-21(31)18-17(12-33-15-6-4-3-5-7-15)29(28-24-18)20-19(22)26-32-27-20/h3-11,30H,2,12H2,1H3,(H2,22,26)(H,25,31)/b23-16+
InChIKey
YZBICVKJSJSQLL-XQNSMLJCSA-N
Synonyms
573945-62-7
573945627
CCC(=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1(NH3+))c1ccc(cc1)(O)
MFCD04020938
ZINC000009350925

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Available files

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