Vitas-M small molecule compound

3-amino-2-(2-oxo-2-phenylethyl)-1H-isoindolium perchlorate

Catalog ID
STL115100
SMILES [O-][Cl](=O)(=O)=O.O=C(c1ccccc1)C[N+]1=C(N)c2c(C1)cccc2

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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 C16H15ClN2O5 MW 350.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O.ClHO4/c17-16-14-9-5-4-8-13(14)10-18(16)11-15(19)12-6-2-1-3-7-12;2-1(3,4)5/h1-9,17H,10-11H2;(H,2,3,4,5)
InChIKey
IOWNNTSTLPEMBU-UHFFFAOYSA-N
Synonyms

(O)(Cl)(=O)(=O)=OO=C(c1ccccc1)C(N+)1=C(N)c2c(C1)cccc2
2(3amino1Hisoindol2ium2yl)1phenylethanoneperchlorate
3amino2(2oxo2phenylethyl)1Hisoindoliumperchlorate
C1C2=CC=CC=C2C(=(N+)1CC(=O)C3=CC=CC=C3)N(O)Cl(=O)(=O)=O
InChI=1SC16H14N2OClHO4c171614954813(14)1018(16)1115(19)12621371221(34)5h1917H1011H2(H2345)
MFCD00853967
ZINC000100668071

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Available files

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