Vitas-M small molecule compound
6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolinium-2-yl)hexanoate
Catalog ID
STL342865
SMILES [O-]C(=O)CCCCC[n+]1c(cc2c(c1C)CCCC2)c1ccccc1
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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 C22H27NO2 MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO2/c1-17-20-13-8-7-12-19(20)16-21(18-10-4-2-5-11-18)23(17)15-9-3-6-14-22(24)25/h2,4-5,10-11,16H,3,6-9,12-15H2,1H3InChIKey
ZQVKMIJWJMYPTQ-UHFFFAOYSA-NSynonyms
(O)C(=O)CCCCC(n+)1c(cc2c(c1C)CCCC2)c1ccccc1
6(1methyl3phenyl5678tetrahydroisoquinolin2ium2yl)hexanoate
6(1methyl3phenyl5678tetrahydroisoquinolinium2yl)hexanoate
CC1=C2CCCCC2=CC(=(N+)1CCCCCC(=O)(O))C3=CC=CC=C3
InChI=1SC22H27NO2c1172013871219(20)1621(18104251118)23(17)159361422(24)25h245101116H3691215H21H3
MFCD01082808
ZINC000005157459
ZINC05157459
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