Vitas-M small molecule compound

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

Catalog ID
STK115842
SMILES CC1=CCC2C(C1)C(=O)N(C2=O)c1ccccc1[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/c1-9-6-7-10-11(8-9)15(19)16(14(10)18)12-4-2-3-5-13(12)17(20)21/h2-6,10-11H,7-8H2,1H3
InChIKey
FTSFHTNVJQMALK-UHFFFAOYSA-N
Synonyms

5METHYL2(2NITROPHENYL)3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
5METHYL2(2NITROPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)c1ccccc1(N+)(=O)(O)
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC15H14N2O4c19671011(89)15(19)16(14(10)18)12423513(12)17(20)21h261011H78H21H3
MFCD00523293
ZINC000004690665
ZINC000101536740

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Available files

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