Vitas-M small molecule compound

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

Catalog ID
STL052760
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C(C)C)c2nonc2[NH3+])cc(c1[O-])OC

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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 C17H20N8O5 MW 416.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N8O5/c1-8(2)13-12(20-24-25(13)16-15(18)22-30-23-16)17(27)21-19-7-9-5-10(28-3)14(26)11(6-9)29-4/h5-8,26H,1-4H3,(H2,18,22)(H,21,27)/b19-7+
InChIKey
LTZLEPIZTOWOFP-FBCYGCLPSA-N
Synonyms
578701-45-8
578701458
COc1cc(C=NNC(=O)c2nnn(c2C(C)C)c2nonc2(NH3+))cc(c1(O))OC
MFCD04029383
ZINC000001870041

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Available files

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