Vitas-M small molecule compound

4-nitrobenzyl 2,4-dinitrobenzoate

Catalog ID
STK670483
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCc1ccc(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 C14H9N3O8 MW 347.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O8/c18-14(25-8-9-1-3-10(4-2-9)15(19)20)12-6-5-11(16(21)22)7-13(12)17(23)24/h1-7H,8H2
InChIKey
MYLOYNFEPHXCCH-UHFFFAOYSA-N
Synonyms
330590-36-8
(4NITROPHENYL)METHYL24DINITROBENZOATE
24DINITROBENZOICACID4NITROBENZYLESTER
330590368
4NITROBENZYL24BISNITROBENZOATE
4nitrobenzyl24dinitrobenzoate
C1=CC(=CC=C1COC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9N3O8c1814(25891310(429)15(19)20)126511(16(21)22)713(12)17(23)24h17H8H2
MFCD00636944
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))OCc1ccc(cc1)(N+)(=O)(O)
ZINC000008435488
ZINC08435488
ZINC8435488

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Available files

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