Vitas-M small molecule compound
6-(2,5-dimethyl-1H-pyrrol-1-yl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]hexan-1-one
Catalog ID
STL549196
SMILES O=C(N1CC[C@@]2([C@H](C1)CCCC2)O)CCCCCn1c(C)ccc1C
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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 C21H34N2O2 MW 346.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O2/c1-17-10-11-18(2)23(17)14-7-3-4-9-20(24)22-15-13-21(25)12-6-5-8-19(21)16-22/h10-11,19,25H,3-9,12-16H2,1-2H3/t19-,21-/m0/s1InChIKey
HRBKYOZMLGNQLB-FPOVZHCZSA-NSynonyms
1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)6(25dimethylpyrrol1yl)hexan1one
121541861
6(25dimethyl1Hpyrrol1yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)hexan1one
6(25dimethyl1Hpyrrol1yl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)hexan1one
InChI=1SC21H34N2O2c117101118(2)23(17)14734920(24)22151321(25)1265819(21)1622h10111925H391216H212H3t1921m0s1
O=C(N1CCC2(C(C1)CCCC2)O)CCCCCn1c(C)ccc1C
ZINC000263585347
ZINC263585347
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