Vitas-M small molecule compound
(1S,9aS)-1-[({[(3R)-2-(2-methoxyphenyl)-5-oxotetrahydrofuran-3-yl]carbonyl}oxy)methyl]-5-methyloctahydro-2H-quinolizinium
Catalog ID
STL581405
SMILES COc1ccccc1C1OC(=O)C[C@H]1C(=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 C23H32NO5 MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32NO5/c1-24-12-6-5-10-19(24)16(8-7-13-24)15-28-23(26)18-14-21(25)29-22(18)17-9-3-4-11-20(17)27-2/h3-4,9,11,16,18-19,22H,5-8,10,12-15H2,1-2H3/q+1/t16-,18-,19+,22?,24?/m1/s1InChIKey
HWQOIKLWBXMRDS-LLDWJESMSA-NSynonyms
(1R9aR)1((((3R)2(2methoxyphenyl)5oxotetrahydrofuran3carbonyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
(1S9aS)1(((((3R)2(2methoxyphenyl)5oxotetrahydrofuran3yl)carbonyl)oxy)methyl)5methyloctahydro2Hquinolizinium
COc1ccccc1C1OC(=O)C(C@H)1C(=O)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
InChI=1SC23H32NO5c12412651019(24)16(871324)152823(26)181421(25)2922(18)179341120(17)272h3491116181922H58101215H212H3q+1t161819+22?24?m1s1
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