Vitas-M small molecule compound
(2R)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butan-1-one
Catalog ID
STL547588
SMILES CSCC[C@H](C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O)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 C18H28N2O2S MW 336.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O2S/c1-23-13-7-16(19-10-4-5-11-19)17(21)20-12-9-18(22)8-3-2-6-15(18)14-20/h4-5,10-11,15-16,22H,2-3,6-9,12-14H2,1H3/t15-,16+,18-/m0/s1InChIKey
PABDGGHZVVETBN-JZXOWHBKSA-NSynonyms
(2~(R))1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)4methylsulfanyl2pyrrol1ylbutan1one
(2R)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)4(methylsulfanyl)2(1Hpyrrol1yl)butan1one
(2R)1(4ahydroxyoctahydroisoquinolin2(1H)yl)4(methylthio)2(1Hpyrrol1yl)butan1one
121541137
CSCC(C@H)(C(=O)N1CCC2(C(C1)CCCC2)O)n1cccc1
InChI=1SC18H28N2O2Sc12313716(1910451119)17(21)2012918(22)832615(18)1420h451011151622H23691214H21H3t1516+18m0s1
ZINC000263586020
ZINC263586020
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