Vitas-M small molecule compound
(1R,9aR)-1-({[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizinium
Catalog ID
STL552823
SMILES COc1ccccc1/C=C/C(=O)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 C21H30NO3 MW 344.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30NO3/c1-22-14-6-5-10-19(22)18(9-7-15-22)16-25-21(23)13-12-17-8-3-4-11-20(17)24-2/h3-4,8,11-13,18-19H,5-7,9-10,14-16H2,1-2H3/q+1/b13-12+/t18-,19+,22?/m0/s1InChIKey
HXWREKZJCQRPNT-ZGYASQIDSA-NSynonyms
((1~(R)9~(a)~(R))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl(~(E))3(2methoxyphenyl)prop2enoate
(1R9aR)1((((2E)3(2methoxyphenyl)prop2enoyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1R9aR)1((((E)3(2methoxyphenyl)acryloyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
6955678
COc1ccccc1C=CC(=O)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
InChI=1SC21H30NO3c12214651019(22)18(971522)162521(23)1312178341120(17)242h34811131819H579101416H212H3q+1b1312+t1819+22?m0s1
ZINC000253390420
ZINC000253390423
ZINC4028555
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