Vitas-M small molecule compound

2-phenylethyl 3-nitrobenzoate

Catalog ID
STL064920
SMILES O=C(c1cccc(c1)[N+](=O)[O-])OCCc1ccccc1

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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 C15H13NO4 MW 271.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NO4/c17-15(13-7-4-8-14(11-13)16(18)19)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKey
UHEKUKWHRTXMGD-UHFFFAOYSA-N
Synonyms
815651-42-4
2phenylethyl3nitrobenzoate
815651424
C1=CC=C(C=C1)CCOC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC15H13NO4c1715(1374814(1113)16(18)19)20109125213612h1811H910H2
MFCD05879276
O=C(c1cccc(c1)(N+)(=O)(O))OCCc1ccccc1
PHENETHYL3NITROBENZOATE
ZINC000012136955
ZINC12136955

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Available files

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