Vitas-M small molecule compound
(1R)-1-({[(4-butoxy-3-methoxyphenyl)carbonyl]oxy}methyl)-5-methyloctahydro-2H-quinolizinium
Catalog ID
STL510831
SMILES CCCCOc1ccc(cc1OC)C(=O)OC[C@@H]1CCC[N+]2(C1CCCC2)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 C23H36NO4 MW 390.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36NO4/c1-4-5-15-27-21-12-11-18(16-22(21)26-3)23(25)28-17-19-9-8-14-24(2)13-7-6-10-20(19)24/h11-12,16,19-20H,4-10,13-15,17H2,1-3H3/q+1/t19-,20?,24?/m0/s1InChIKey
KZUFRLKJCLWSAW-HDJSMCDHSA-NSynonyms
((1~(R))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl4butoxy3methoxybenzoate
(1R)1((((4butoxy3methoxyphenyl)carbonyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1R)1(((4BUTOXY3METHOXYBENZOYL)OXY)METHYL)5METHYLOCTAHYDRO2HQUINOLIZINIUM
(1R5R9aR)1(((4butoxy3methoxybenzoyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
46498731
CCCCOc1ccc(cc1OC)C(=O)OC(C@H)1CCC(N+)2(C1CCCC2)C(I)
InChI=1SC23H36NO4c145152721121118(1622(21)263)23(25)281719981424(2)13761020(19)24h1112161920H410131517H213H3q+1t1920?24?m0s1
MFCD00483999
ZINC000245296156
ZINC000245296169
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