Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 3-iodo-4-methoxybenzoate

Catalog ID
STK065932
SMILES COc1ccc(cc1I)C(=O)OCC(=O)c1cccc(c1)[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 C16H12INO6 MW 441.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12INO6/c1-23-15-6-5-11(8-13(15)17)16(20)24-9-14(19)10-3-2-4-12(7-10)18(21)22/h2-8H,9H2,1H3
InChIKey
OMVFGYWEACDLGZ-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)3IODO4METHOXYBENZOATE
2(3NITROPHENYL)2OXOETHYL3IODO4METHOXYBENZOATE
COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))I
COc1ccc(cc1I)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC16H12INO6c123156511(813(15)17)16(20)24914(19)1032412(710)18(21)22h28H9H21H3
MFCD03059144
STK065932
ZINC000001150953
ZINC01150953
ZINC1150953

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Available files

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