Vitas-M small molecule compound
5-(azepan-1-ylmethyl)-2-hydroxy-3-{[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}-4H-pyran-4-one
Catalog ID
STL553389
SMILES Oc1occ(c(=O)c1CN1CC2(CC1CC(C2)(C)C)C)CN1CCCCCC1
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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 C23H36N2O3 MW 388.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36N2O3/c1-22(2)10-18-11-23(3,15-22)16-25(18)13-19-20(26)17(14-28-21(19)27)12-24-8-6-4-5-7-9-24/h14,18,27H,4-13,15-16H2,1-3H3InChIKey
PCYFMWKQBFRPDZ-UHFFFAOYSA-NSynonyms
5(azepan1ylmethyl)2hydroxy3(((1R5S)133trimethyl6azabicyclo(321)octan6yl)methyl)4Hpyran4one
5(azepan1ylmethyl)2hydroxy3(((5R)133trimethyl6azabicyclo(321)oct6yl)methyl)4Hpyran4one
InChI=1SC23H36N2O3c122(2)10181123(31522)1625(18)131920(26)17(142821(19)27)122486457924h141827H4131516H213H3
ZINC000100796943
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