Vitas-M small molecule compound

2-(methoxycarbonyl)phenyl 2,4-dinitrobenzoate

Catalog ID
STK427701
SMILES COC(=O)c1ccccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[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 C15H10N2O8 MW 346.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10N2O8/c1-24-14(18)11-4-2-3-5-13(11)25-15(19)10-7-6-9(16(20)21)8-12(10)17(22)23/h2-8H,1H3
InChIKey
IXMQEFQXINZQBS-UHFFFAOYSA-N
Synonyms

(2METHOXYCARBONYLPHENYL)24DINITROBENZOATE
2(methoxycarbonyl)phenyl24dinitrobenzoate
COC(=O)C1=CC=CC=C1OC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1ccccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC15H10N2O8c12414(18)11423513(11)2515(19)10769(16(20)21)812(10)17(22)23h28H1H3
MFCD00813707
ZINC000002779488
ZINC02779488
ZINC2779488

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Available files

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