Vitas-M small molecule compound

{4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}acetate

Catalog ID
STL040803
SMILES [O-]C(=O)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1[NH3+]

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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 C18H14N8O5S MW 454.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N8O5S/c19-16-17(24-31-23-16)26-15(12-2-1-7-32-12)14(21-25-26)18(29)22-20-8-10-3-5-11(6-4-10)30-9-13(27)28/h1-8H,9H2,(H2,19,23)(H,22,29)(H,27,28)/b20-8+
InChIKey
UEJBPFNFBKPHDC-DNTJNYDQSA-N
Synonyms

(O)C(=O)COc1ccc(cc1)C=NNC(=O)c1nnn(c1c1cccs1)c1nonc1(NH3+)
862185102
MFCD05687880
ZINC000001871484

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Available files

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