Vitas-M small molecule compound

cyclopropyl(4,5-dimethoxy-2-nitrophenyl)methanone

Catalog ID
STK250114
SMILES COc1cc(C(=O)C2CC2)c(cc1OC)[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 C12H13NO5 MW 251.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO5/c1-17-10-5-8(12(14)7-3-4-7)9(13(15)16)6-11(10)18-2/h5-7H,3-4H2,1-2H3
InChIKey
GETJJTWDUKWRNJ-UHFFFAOYSA-N
Synonyms

45DIMETHOXY2NITROPHENYLCYCLOPROPYLKETONE
COC1=C(C=C(C(=C1)C(=O)C2CC2)(N+)(=O)(O))OC
COc1cc(C(=O)C2CC2)c(cc1OC)(N+)(=O)(O)
cyclopropyl(45dimethoxy2nitrophenyl)methanone
InChI=1SC12H13NO5c1171058(12(14)7347)9(13(15)16)611(10)182h57H34H212H3
MFCD08685675
ZINC000009028550
ZINC09028550
ZINC9028550

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Available files

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