Vitas-M small molecule compound

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

Catalog ID
STK253667
SMILES CC1=CC2CC1C1C2C(=O)N(C1=O)c1cccc(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 C16H14N2O4 MW 298.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4/c1-8-5-9-6-12(8)14-13(9)15(19)17(16(14)20)10-3-2-4-11(7-10)18(21)22/h2-5,7,9,12-14H,6H2,1H3
InChIKey
DGHBLVQCGKCDAG-UHFFFAOYSA-N
Synonyms

5methyl2(3nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC2CC1C1C2C(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O)
CC1=CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC16H14N2O4c1859612(8)1413(9)15(19)17(16(14)20)1032411(710)18(21)22h25791214H6H21H3
MFCD00625041
ZINC000100902174
ZINC000239038463

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Available files

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