Vitas-M small molecule compound

5,5-dimethyl-2-(2-nitrophenyl)-1,3-dioxane

Catalog ID
STK019464
SMILES [O-][N+](=O)c1ccccc1C1OCC(CO1)(C)C

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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 C12H15NO4 MW 237.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-5-3-4-6-10(9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKey
PSKJVABQWREEDF-UHFFFAOYSA-N
Synonyms
79718-94-8
(O)(N+)(=O)c1ccccc1C1OCC(CO1)(C)C
13DIOXANE55DIMETHYL2(2NITROPHENYL)
2NITROBENZALDEHYDE22DIMETHYLPROPANE13DIYLACETAL
55DIMETHYL2(2NITROPHENYL)13DIOXANE
79718948
CC1(COC(OC1)C2=CC=CC=C2(N+)(=O)(O))C
InChI=1SC12H15NO4c112(2)71611(17812)9534610(9)13(14)15h3611H78H212H3
MFCD00444592
STK019464
ZINC000003160050
ZINC03160050
ZINC3160050

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Available files

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