Vitas-M small molecule compound
1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylpyridinium
Catalog ID
STL059273
SMILES Cc1cc[n+](cc1)CC1OCc2c(CO1)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 C16H18NO2 MW 256.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18NO2/c1-13-6-8-17(9-7-13)10-16-18-11-14-4-2-3-5-15(14)12-19-16/h2-9,16H,10-12H2,1H3/q+1InChIKey
ORGRGSKZDFCRJT-UHFFFAOYSA-NSynonyms
1((15dihydrobenzo(e)(13)dioxepin3yl)methyl)4methylpyridin1iumchloride
1(15DIHYDRO24BENZODIOXEPIN3YLMETHYL)4METHYLPYRIDIN1IUM
1(15dihydro24benzodioxepin3ylmethyl)4methylpyridinium
1(59DIHYDRO68DIOXABENZOCYCLOHEPTEN7YLMETHYL)4METHYLPYRIDINIUM
CC1=CC=(N+)(C=C1)CC2OCC3=CC=CC=C3CO2
Cc1cc(n+)(cc1)CC1OCc2c(CO1)cccc2
Cc1cc(n+)(cc1)CC1OCc2c(CO1)cccc2(Cl)
InChI=1SC16H18NO2c1136817(9713)1016181114423515(14)121916h2916H1012H21H3q+1
ZINC000000185744
ZINC00185744
ZINC185744
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