Vitas-M small molecule compound

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

Catalog ID
STK075564
SMILES CC1=CCC2C(C1)C(=O)N(C2=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 C15H14N2O4 MW 286.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O4/c1-9-5-6-12-13(7-9)15(19)16(14(12)18)10-3-2-4-11(8-10)17(20)21/h2-5,8,12-13H,6-7H2,1H3
InChIKey
XSFLPRLCSDPYRO-UHFFFAOYSA-N
Synonyms
418804-45-2
418804452
5METHYL2(3NITROPHENYL)3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
5METHYL2(3NITROPHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O)
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC15H14N2O4c19561213(79)15(19)16(14(12)18)1032411(810)17(20)21h2581213H67H21H3
MFCD00418235
STK075564
ZINC000000440003
ZINC000100009996

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Available files

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