Vitas-M small molecule compound

2-hexyl-4-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STL174704
SMILES CCCCCCN1C(=O)c2c(C1=O)cccc2[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 C14H16N2O4 MW 276.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O4/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(16(19)20)12(10)14(15)18/h6-8H,2-5,9H2,1H3
InChIKey
MRTIQAFDNIOQJF-UHFFFAOYSA-N
Synonyms
2593-84-2
1HISOINDOLE13(2H)DIONE2HEXYL4NITRO
2593842
2hexyl4nitro1Hisoindole13(2H)dione
2HEXYL4NITROBENZO(C)AZOLINE13DIONE
2HEXYL4NITROISOINDOLE13DIONE
CCCCCCN1C(=O)C2=C(C1=O)C(=CC=C2)(N+)(=O)(O)
CCCCCCN1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC14H16N2O4c1234591513(17)1076811(16(19)20)12(10)14(15)18h68H259H21H3
MFCD08554242
ZINC000036612233
ZINC36612233

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Available files

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