Vitas-M small molecule compound

2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl propanoate

Catalog ID
STK095355
SMILES CCC(=O)OCCN1C(=O)c2c(C1=O)cc(cc2)[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 C13H12N2O6 MW 292.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O6/c1-2-11(16)21-6-5-14-12(17)9-4-3-8(15(19)20)7-10(9)13(14)18/h3-4,7H,2,5-6H2,1H3
InChIKey
HORVQOMOHYPQFC-UHFFFAOYSA-N
Synonyms

2(5NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)ETHYLPROPANOATE
2(5NITRO13DIOXOISOINDOL2YL)ETHYLPROPANOATE
CCC(=O)OCCN1C(=O)C2=C(C1=O)C=C(C=C2)(N+)(=O)(O)
CCC(=O)OCCN1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC13H12N2O6c1211(16)21651412(17)9438(15(19)20)710(9)13(14)18h347H256H21H3
MFCD01005754
STK095355
ZINC000000437797
ZINC00437797
ZINC437797

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Available files

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