Vitas-M small molecule compound
(1S,9aS)-5-methyl-1-({[(2E,4E)-3-methyl-5-(naphthalen-2-yl)penta-2,4-dienoyl]oxy}methyl)octahydro-2H-quinolizinium
Catalog ID
STL552906
SMILES O=C(/C=C(/C=C/c1ccc2c(c1)cccc2)\C)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C
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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 C27H34NO2 MW 404.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34NO2/c1-21(12-13-22-14-15-23-8-3-4-9-24(23)19-22)18-27(29)30-20-25-10-7-17-28(2)16-6-5-11-26(25)28/h3-4,8-9,12-15,18-19,25-26H,5-7,10-11,16-17,20H2,1-2H3/q+1/b13-12+,21-18+/t25-,26+,28?/m1/s1InChIKey
UUCPKRZOLZKWCY-LFPVWVRTSA-NSynonyms
((1~(S)9~(a)~(S))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl(2~(E)4~(E))3methyl5naphthalen2ylpenta24dienoate
(1S9aS)5methyl1((((2E4E)3methyl5(naphthalen2yl)penta24dienoyl)oxy)methyl)decahydroquinolizin5iumiodide
(1S9aS)5methyl1((((2E4E)3methyl5(naphthalen2yl)penta24dienoyl)oxy)methyl)octahydro2Hquinolizinium
16397246
InChI=1SC27H34NO2c121(121322141523834924(23)1922)1827(29)3020251071728(2)16651126(25)28h3489121518192526H571011161720H212H3q+1b1312+2118+t2526+28?m1s1
O=C(C=C(C=Cc1ccc2c(c1)cccc2)C)OC(C@H)1CCC(N+)2((C@H)1CCCC2)C(I)
ZINC000253390554
ZINC000253390556
ZINC5638441
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