Vitas-M small molecule compound

(5-hydroxy-2-methyl-1-benzofuran-3-yl)(4-nitrophenyl)methanone

Catalog ID
STK569331
SMILES O=C(c1c(C)oc2c1cc(O)cc2)c1ccc(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 C16H11NO5 MW 297.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO5/c1-9-15(13-8-12(18)6-7-14(13)22-9)16(19)10-2-4-11(5-3-10)17(20)21/h2-8,18H,1H3
InChIKey
LSJQEBFYNGYQLZ-UHFFFAOYSA-N
Synonyms
308796-91-0
(5hydroxy2methyl1benzofuran3yl)(4nitrophenyl)methanone
(5HYDROXY2METHYLBENZOFURAN3YL)(4NITROPHENYL)METHANONE
308796910
CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H11NO5c1915(13812(18)6714(13)229)16(19)102411(5310)17(20)21h2818H1H3
MFCD02945623
O=C(c1c(C)oc2c1cc(O)cc2)c1ccc(cc1)(N+)(=O)(O)
ZINC000000539347
ZINC00539347
ZINC539347

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Available files

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