Vitas-M small molecule compound

3-(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-1-methylpyridinium

Catalog ID
STK825230
SMILES C[n+]1cccc(c1)N1C(=O)C2C(C1=O)C(C)C=C(C2)C

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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 C16H19N2O2 MW 271.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N2O2/c1-10-7-11(2)14-13(8-10)15(19)18(16(14)20)12-5-4-6-17(3)9-12/h4-7,9,11,13-14H,8H2,1-3H3/q+1
InChIKey
UYHYCNHHAGZKQZ-UHFFFAOYSA-N
Synonyms

3((3AR4S7AS)46DIMETHYL13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)1METHYLPYRIDINIUM
3((3aR7aS)46dimethyl13dioxo3a477atetrahydro1Hisoindol2(3H)yl)1methylpyridin1iumiodide
3(46dimethyl13dioxo133a477ahexahydro2Hisoindol2yl)1methylpyridinium
46DIMETHYL2(1METHYL(3PYRIDYL))473A7ATETRAHYDROISOINDOLE13DIONE
46DIMETHYL2(1METHYLPYRIDIN1IUM3YL)3A477ATETRAHYDROISOINDOLE13DIONE
C(n+)1cccc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)C(C)C=C(C2)C(I)
C(n+)1cccc(c1)N1C(=O)C2C(C1=O)C(C)C=C(C2)C
CC1C=C(CC2C1C(=O)N(C2=O)C3=C(N+)(=CC=C3)C)C
InChI=1SC16H19N2O2c110711(2)1413(810)15(19)18(16(14)20)1254617(3)912h479111314H8H213H3q+1
ZINC000004184556
ZINC000101171171

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Available files

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