Vitas-M small molecule compound

4,4-dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazole 1-oxide

Catalog ID
STL321281
SMILES COC1(OC)CCCc2c1no[n+]2[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 C8H12N2O4 MW 200.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H12N2O4/c1-12-8(13-2)5-3-4-6-7(8)9-14-10(6)11/h3-5H2,1-2H3
InChIKey
FTCXPFRAZMKWRS-UHFFFAOYSA-N
Synonyms
300803-45-6
44DIMETHOXY1OXIDO67DIHYDRO5H213BENZOXADIAZOL1IUM
44dimethoxy4567tetrahydro213benzoxadiazole1oxide
44dimethoxy4567tetrahydrobenzo(c)(125)oxadiazole1oxide
COC1(CCCC2=(N+)(ON=C21)(O))OC
COC1(OC)CCCc2c1no(n+)2(O)
Registry IDs
MFCD00168527
ZINC000000341843
ZINC00341843
ZINC341843

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Available files

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