Vitas-M small molecule compound
(2R)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butan-1-one
Catalog ID
STL547366
SMILES CSCC[C@H](C(=O)N1CCc2c(C1)cccc2)n1cccc1
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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 C18H22N2OS MW 314.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2OS/c1-22-13-9-17(19-10-4-5-11-19)18(21)20-12-8-15-6-2-3-7-16(15)14-20/h2-7,10-11,17H,8-9,12-14H2,1H3/t17-/m1/s1InChIKey
GRVKPYNNMJFRSY-QGZVFWFLSA-NSynonyms
(2~(R))1(34dihydro1~(H)isoquinolin2yl)4methylsulfanyl2pyrrol1ylbutan1one
(2R)1(34dihydroisoquinolin2(1H)yl)4(methylsulfanyl)2(1Hpyrrol1yl)butan1one
(R)1(34dihydroisoquinolin2(1H)yl)4(methylthio)2(1Hpyrrol1yl)butan1one
121541718
CSCC(C@H)(C(=O)N1CCc2c(C1)cccc2)n1cccc1
InChI=1SC18H22N2OSc12213917(1910451119)18(21)2012815623716(15)1420h27101117H891214H21H3t17m1s1
ZINC000263585249
ZINC263585249
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