Vitas-M small molecule compound
3-[(4,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]-1-methylpyridinium
Catalog ID
STK825231
SMILES C[n+]1cccc(c1)CN1C(=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 C17H21N2O2 MW 285.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N2O2/c1-11-7-12(2)15-14(8-11)16(20)19(17(15)21)10-13-5-4-6-18(3)9-13/h4-7,9,12,14-15H,8,10H2,1-3H3/q+1InChIKey
PYBDZRRKYOKDCJ-UHFFFAOYSA-NSynonyms
3((46dimethyl13dioxo133a477ahexahydro2Hisoindol2yl)methyl)1methylpyridinium
3((46dimethyl13dioxo3a477atetrahydro1Hisoindol2(3H)yl)methyl)1methylpyridin1iumiodide
46DIMETHYL2((1METHYLPYRIDIN1IUM3YL)METHYL)3A477ATETRAHYDROISOINDOLE13DIONE
C(n+)1cccc(c1)CN1C(=O)C2C(C1=O)C(C)C=C(C2)C
C(n+)1cccc(c1)CN1C(=O)C2C(C1=O)C(C)C=C(C2)C(I)
CC1C=C(CC2C1C(=O)N(C2=O)CC3=C(N+)(=CC=C3)C)C
InChI=1SC17H21N2O2c111712(2)1514(811)16(20)19(17(15)21)101354618(3)913h479121415H810H213H3q+1
ZINC000004124578
ZINC000105747009
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