Vitas-M small molecule compound

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

Catalog ID
STK286207
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1ccc(cc1)[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 C15H14N2O4 MW 286.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O4/c1-9-3-2-4-12-13(9)15(19)16(14(12)18)10-5-7-11(8-6-10)17(20)21/h2-3,5-9,12-13H,4H2,1H3
InChIKey
PBLZWGAYCWXFBV-UHFFFAOYSA-N
Synonyms

4methyl2(4nitrophenyl)3a477atetrahydro1Hisoindole13(2H)dione
4METHYL2(4NITROPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1C=CCC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC15H14N2O4c193241213(9)15(19)16(14(12)18)105711(8610)17(20)21h23591213H4H21H3
MFCD03349849
ZINC000017987996
ZINC000239173990

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Available files

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