Vitas-M small molecule compound

2,2-dimethyl-5-(4-nitrobenzylidene)-1,3-dioxane-4,6-dione

Catalog ID
STL290464
SMILES O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)[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 C13H11NO6 MW 277.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO6/c1-13(2)19-11(15)10(12(16)20-13)7-8-3-5-9(6-4-8)14(17)18/h3-7H,1-2H3
InChIKey
FCDZHNDUCXHXLS-UHFFFAOYSA-N
Synonyms
15795-62-7
15795627
2(4NITROBENZYLIDENE)MALONICACIDISOPROPYLIDENEESTER
22DIMETHYL5((4NITROPHENYL)METHYLIDENE)13DIOXANE46DIONE
22DIMETHYL5(4NITROBENZYLIDENE)(13)DIOXANE46DIONE
22dimethyl5(4nitrobenzylidene)13dioxane46dione
CC1(OC(=O)C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)O1)C
InChI=1SC13H11NO6c113(2)1911(15)10(12(16)2013)78359(648)14(17)18h37H12H3
MFCD00183176
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000000342779
ZINC00342779
ZINC342779

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Available files

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