Vitas-M small molecule compound

2-(2-methoxy-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK280984
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1CC2C=C1)[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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-23-12-5-4-10(18(21)22)7-11(12)17-15(19)13-8-2-3-9(6-8)14(13)16(17)20/h2-5,7-9,13-14H,6H2,1H3
InChIKey
DBERPQOTGLWBFM-UHFFFAOYSA-N
Synonyms

2(2methoxy5nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CC(C3C2=O)C=C4
COc1ccc(cc1N1C(=O)C2C(C1=O)C1CC2C=C1)(N+)(=O)(O)
InChI=1SC16H14N2O5c123125410(18(21)22)711(12)1715(19)138239(68)14(13)16(17)20h25791314H6H21H3
MFCD00523328
ZINC000100184289
ZINC000101359131

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Available files

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