Vitas-M small molecule compound

1-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpiperidinium

Catalog ID
STL300950
SMILES O=C1N(C[N+]2(C)CCCCC2)C(=O)C2C1C1C=CC2C1

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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 C16H23N2O2 MW 275.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N2O2/c1-18(7-3-2-4-8-18)10-17-15(19)13-11-5-6-12(9-11)14(13)16(17)20/h5-6,11-14H,2-4,7-10H2,1H3/q+1
InChIKey
KACLEKGODJDZPY-UHFFFAOYSA-N
Synonyms

1((13dioxo133a477ahexahydro2H47methanoisoindol2yl)methyl)1methylpiperidinium
1((13dioxo3a477atetrahydro1H47methanoisoindol2(3H)yl)methyl)1methylpiperidin1iumiodide
C(N+)1(CCCCC1)CN2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC16H23N2O2c118(7324818)101715(19)13115612(911)14(13)16(17)20h561114H24710H21H3q+1
MFCD02996633
O=C1N(C(N+)2(C)CCCCC2)C(=O)C2C1C1C=CC2C1
O=C1N(C(N+)2(C)CCCCC2)C(=O)C2C1C1C=CC2C1(I)
ZINC000100793823
ZINC000239328995

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Available files

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