Vitas-M small molecule compound
(1R,9aR)-5-methyl-1-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)octahydro-2H-quinolizinium
Catalog ID
STL552915
SMILES O=C(/C=C/c1ccccc1)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 C20H28NO2 MW 314.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28NO2/c1-21-14-6-5-11-19(21)18(10-7-15-21)16-23-20(22)13-12-17-8-3-2-4-9-17/h2-4,8-9,12-13,18-19H,5-7,10-11,14-16H2,1H3/q+1/b13-12+/t18-,19+,21?/m0/s1InChIKey
WTBBSBSTSYXEEI-DPJUZXKZSA-NSynonyms
((1~(R)9~(a)~(R))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl(~(E))3phenylprop2enoate
(1R9aR)1((cinnamoyloxy)methyl)5methyldecahydroquinolizin5iumiodide
(1R9aR)5methyl1((((2E)3phenylprop2enoyl)oxy)methyl)octahydro2Hquinolizinium
6955666
InChI=1SC20H28NO2c12114651119(21)18(1071521)162320(22)1312178324917h248912131819H5710111416H21H3q+1b1312+t1819+21?m0s1
O=C(C=Cc1ccccc1)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
ZINC000253390572
ZINC000253390574
ZINC4028514
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