Vitas-M small molecule compound

4-methoxy-6-nitro-1,3-benzodioxole

Catalog ID
STK695712
SMILES COc1cc(cc2c1OCO2)[N+](=O)[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 C8H7NO5 MW 197.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NO5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3
InChIKey
CNVWHJAWPZWPCW-UHFFFAOYSA-N
Synonyms
51068-95-2
13BENZODIOXOLE4METHOXY6NITRO
4methoxy6nitro13benzodioxole
4METHOXY6NITRO2H13BENZODIOXOLE
4METHOXY6NITRO2HBENZO(D)13DIOXOLENE
4METHOXY6NITROBENZO(13)DIOXOLE
51068952
COC1=CC(=CC2=C1OCO2)(N+)(=O)(O)
COc1cc(cc2c1OCO2)(N+)(=O)(O)
InChI=1SC8H7NO5c112625(9(10)11)378(6)144137h23H4H21H3
MFCD00099414
ZINC000001040995
ZINC01040995
ZINC1040995

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Available files

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