Vitas-M small molecule compound
5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-3-{[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}-4H-pyran-4-one
Catalog ID
STL553391
SMILES Oc1occ(c(=O)c1CN1CC2(CC1CC(C2)(C)C)C)CN1CCc2c(C1)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 C26H34N2O3 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O3/c1-25(2)10-21-11-26(3,16-25)17-28(21)14-22-23(29)20(15-31-24(22)30)13-27-9-8-18-6-4-5-7-19(18)12-27/h4-7,15,21,30H,8-14,16-17H2,1-3H3InChIKey
XXDKRXKNQDZGPO-UHFFFAOYSA-NSynonyms
5((34dihydroisoquinolin2(1H)yl)methyl)2hydroxy3(((1R5S)133trimethyl6azabicyclo(321)octan6yl)methyl)4Hpyran4one
5(34dihydroisoquinolin2(1H)ylmethyl)2hydroxy3(((5R)133trimethyl6azabicyclo(321)oct6yl)methyl)4Hpyran4one
InChI=1SC26H34N2O3c125(2)10211126(31625)1728(21)142223(29)20(153124(22)30)13279818645719(18)1227h47152130H8141617H213H3
ZINC000100796372
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