Vitas-M small molecule compound

4-(phenylcarbonyl)benzene-1,3-diyl bis(4-nitrobenzoate)

Catalog ID
STK388937
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1

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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 C27H16N2O9 MW 512.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16N2O9/c30-25(17-4-2-1-3-5-17)23-15-14-22(37-26(31)18-6-10-20(11-7-18)28(33)34)16-24(23)38-27(32)19-8-12-21(13-9-19)29(35)36/h1-16H
InChIKey
XBSXDGWAFIVHLW-UHFFFAOYSA-N
Synonyms
301657-23-8
(4BENZOYL3(4NITROBENZOYL)OXYPHENYL)4NITROBENZOATE
301657238
4(phenylcarbonyl)benzene13diylbis(4nitrobenzoate)
4BENZOYLBENZENE13DIYLBIS(4NITROBENZOATE)
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC27H16N2O9c3025(174213517)23151422(3726(31)1861020(11718)28(33)34)1624(23)3827(32)1981221(13919)29(35)36h116H
MFCD00311645
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccc(c(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)c1ccccc1
ZINC000002752504
ZINC02752504
ZINC2752504

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Available files

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