Vitas-M small molecule compound

2-methoxy-5-nitrocyclohepta-2,4,6-trien-1-one

Catalog ID
STL329216
SMILES COc1ccc(ccc1=O)[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 C8H7NO4 MW 181.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7NO4/c1-13-8-5-3-6(9(11)12)2-4-7(8)10/h2-5H,1H3
InChIKey
SRVBIVSFLVFSAB-UHFFFAOYSA-N
Synonyms
14628-90-1
14628901
246CYCLOHEPTATRIEN1ONE2METHOXY5NITRO
2METHOXY5NITRO246CYCLOHEPTATRIEN1ONE
2methoxy5nitrocyclohepta246trien1one
2METHOXY5NITROCYCLOHEPTA246TRIENONE
2METHOXY5NITROTROPONE
COC1=CC=C(C=CC1=O)(N+)(=O)(O)
COc1ccc(ccc1=O)(N+)(=O)(O)
InChI=1SC8H7NO4c1138536(9(11)12)247(8)10h25H1H3
MFCD00127912
ZINC000000245213
ZINC00245213
ZINC245213

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Available files

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