Vitas-M small molecule compound
(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl(8-fluoro-4-hydroxyquinolin-3-yl)methanone
Catalog ID
STL547475
SMILES O=C(c1cnc2c(c1O)cccc2F)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C25H28FN3O2 MW 421.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28FN3O2/c26-20-7-3-6-18-22(20)27-13-19(24(18)30)25(31)29-10-4-5-15-11-16-12-17(23(15)29)14-28-9-2-1-8-21(16)28/h3,6-7,11,13,16-17,21,23H,1-2,4-5,8-10,12,14H2,(H,27,30)/t16-,17+,21+,23+/m0/s1InChIKey
NMMRQOVLVLCJGO-HFTZPDGKSA-NSynonyms
((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)(8fluoro4hydroxyquinolin3yl)methanone
(6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(8fluoro4hydroxyquinolin3yl)methanone
InChI=1SC25H28FN3O2c26207361822(20)271319(24(18)30)25(31)2910451511161217(23(15)29)1428921821(16)28h367111316172123H12458101214H2(H2730)t1617+21+23+m0s1
O=C(c1cnc2c(c1O)cccc2F)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
ZINC000253410606
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