Vitas-M small molecule compound

4-bromo-5-(nitromethyl)-3-phenoxyfuran-2(5H)-one

Catalog ID
STK724070
SMILES [O-][N+](=O)CC1OC(=O)C(=C1Br)Oc1ccccc1

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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 C11H8BrNO5 MW 314.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8BrNO5/c12-9-8(6-13(15)16)18-11(14)10(9)17-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
PUHWWEDNPGAPRR-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)CC1OC(=O)C(=C1Br)Oc1ccccc1
3BROMO2(NITROMETHYL)4PHENOXY2HFURAN5ONE
4BROMO5(NITROMETHYL)3PHENOXY5HYDROFURAN2ONE
4bromo5(nitromethyl)3phenoxyfuran2(5H)one
C1=CC=C(C=C1)OC2=C(C(OC2=O)C(N+)(=O)(O))Br
InChI=1SC11H8BrNO5c1298(613(15)16)1811(14)10(9)177421357h158H6H2
MFCD00520747
ZINC000100049896
ZINC000100049897

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Available files

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