Vitas-M small molecule compound

3-[2-(2-hydroxy-5-nitrophenyl)-2-oxoethyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one

Catalog ID
STK530244
SMILES COc1c(OC)ccc2c1C(=O)OC2CC(=O)c1cc(ccc1O)[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 C18H15NO8 MW 373.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO8/c1-25-14-6-4-10-15(27-18(22)16(10)17(14)26-2)8-13(21)11-7-9(19(23)24)3-5-12(11)20/h3-7,15,20H,8H2,1-2H3
InChIKey
GLIGHEKBKFFXNC-UHFFFAOYSA-N
Synonyms

(3R)3(2(2HYDROXY5NITROPHENYL)2OXOETHYL)67DIMETHOXY2BENZOFURAN1(3H)ONE
3(2(2hydroxy5nitrophenyl)2oxoethyl)67dimethoxy2benzofuran1(3H)one
3(2(2HYDROXY5NITROPHENYL)2OXOETHYL)67DIMETHOXY3H2BENZOFURAN1ONE
3(2(2hydroxy5nitrophenyl)2oxoethyl)67dimethoxyisobenzofuran1(3H)one
COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))O)OC
COc1c(OC)ccc2c1C(=O)OC2CC(=O)c1cc(ccc1O)(N+)(=O)(O)
InChI=1SC18H15NO8c12514641015(2718(22)16(10)17(14)262)813(21)1179(19(23)24)3512(11)20h371520H8H212H3
MFCD00482896
ZINC000004862792
ZINC000004862793

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Available files

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