Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-methylbenzoate

Catalog ID
STK756351
SMILES Cc1ccc(cc1)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 C16H13NO5 MW 299.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5/c1-11-5-7-12(8-6-11)16(19)22-10-15(18)13-3-2-4-14(9-13)17(20)21/h2-9H,10H2,1H3
InChIKey
MBARQEWLGAGHFL-UHFFFAOYSA-N
Synonyms
324067-92-7
(2(3NITROPHENYL)2OXOETHYL)4METHYLBENZOATE
2(3nitrophenyl)2oxoethyl4methylbenzoate
324067927
4METHYLBENZOICACID2(3NITROPHENYL)2OXOETHYLESTER
CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC16H13NO5c1115712(8611)16(19)221015(18)1332414(913)17(20)21h29H10H21H3
MFCD01304216
ZINC000000064101
ZINC00064101
ZINC64101

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Available files

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