Vitas-M small molecule compound
1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-methyl-1H-indol-1-yl)propan-1-one
Catalog ID
STL539473
SMILES O=C(N1CC[C@@]2([C@H](C1)CCCC2)O)CCn1ccc2c1cccc2C
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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 C21H28N2O2 MW 340.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O2/c1-16-5-4-7-19-18(16)8-12-22(19)13-9-20(24)23-14-11-21(25)10-3-2-6-17(21)15-23/h4-5,7-8,12,17,25H,2-3,6,9-11,13-15H2,1H3/t17-,21-/m0/s1InChIKey
ONHQBMCLZMMYCZ-UWJYYQICSA-NSynonyms
1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(4methylindol1yl)propan1one
1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methyl1Hindol1yl)propan1one
1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methyl1Hindol1yl)propan1one
71754312
InChI=1SC21H28N2O2c1165471918(16)81222(19)13920(24)23141121(25)1032617(21)1523h4578121725H2369111315H21H3t1721m0s1
O=C(N1CCC2(C(C1)CCCC2)O)CCn1ccc2c1cccc2C
ZINC000079193171
ZINC79193171
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