Vitas-M small molecule compound

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

Catalog ID
STK834836
SMILES COC1(OC)C(O)CCc2c1no[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 C8H12N2O5 MW 216.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H12N2O5/c1-13-8(14-2)6(11)4-3-5-7(8)9-15-10(5)12/h6,11H,3-4H2,1-2H3
InChIKey
YCKQVGQMORSQNB-UHFFFAOYSA-N
Synonyms
330982-47-3
330982473
44DIMETHOXY1OXIDO67DIHYDRO5H213BENZOXADIAZOL1IUM5OL
44dimethoxy4567tetrahydro213benzoxadiazol5ol1oxide
5hydroxy44dimethoxy4567tetrahydrobenzo(c)(125)oxadiazole1oxide
COC1(C(CCC2=(N+)(ON=C21)(O))O)OC
COC1(OC)C(O)CCc2c1no(n+)2(O)
InChI=1SC8H12N2O5c1138(142)6(11)4357(8)91510(5)12h611H34H212H3
MFCD00168529
ZINC000000291852
ZINC000000291854

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Available files

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