Vitas-M small molecule compound
(1S,9aS)-5-methyl-1-({[(2-oxo-6-pentyl-2H-pyran-3-yl)carbonyl]oxy}methyl)octahydro-2H-quinolizinium
Catalog ID
STL552851
SMILES CCCCCc1ccc(c(=O)o1)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 C22H34NO4 MW 376.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34NO4/c1-3-4-5-10-18-12-13-19(22(25)27-18)21(24)26-16-17-9-8-15-23(2)14-7-6-11-20(17)23/h12-13,17,20H,3-11,14-16H2,1-2H3/q+1/t17-,20+,23?/m1/s1InChIKey
BEYTWKUTZQIHJF-LRNSAUPQSA-NSynonyms
((1~(S)9~(a)~(S))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl2oxo6pentylpyran3carboxylate
(1S9aS)5methyl1((((2oxo6pentyl2Hpyran3yl)carbonyl)oxy)methyl)octahydro2Hquinolizinium
(1S9aS)5methyl1(((2oxo6pentyl2Hpyran3carbonyl)oxy)methyl)decahydroquinolizin5iumiodide
11873834
CCCCCc1ccc(c(=O)o1)C(=O)OC(C@H)1CCC(N+)2((C@H)1CCCC2)C(I)
InChI=1SC22H34NO4c13451018121319(22(25)2718)21(24)261617981523(2)14761120(17)23h12131720H3111416H212H3q+1t1720+23?m1s1
ZINC000252441023
ZINC000252441024
ZINC4028706
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