Vitas-M small molecule compound
(1S,9aS)-1-[({[(1S,5S)-3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}oxy)methyl]-5-methyloctahydro-2H-quinolizinium
Catalog ID
STL552844
SMILES O=C([C@]12CC3CC(C1)CC(C2)(C3)Cl)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 C22H35ClNO2 MW 380.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35ClNO2/c1-24-7-3-2-6-19(24)18(5-4-8-24)14-26-20(25)21-10-16-9-17(11-21)13-22(23,12-16)15-21/h16-19H,2-15H2,1H3/q+1/t16?,17?,18-,19+,21-,22?,24?/m1/s1InChIKey
KBOAUZXZOYOMEX-JMGPLIROSA-NSynonyms
(1S9aS)1(((((1S5S)3chlorotricyclo(3311~37~)dec1yl)carbonyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1S9aS)1((((1r3R5R7S)3chloroadamantane1carbonyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
InChI=1SC22H35ClNO2c124732619(24)18(54824)142620(25)211016917(1121)1322(231216)1521h1619H215H21H3q+1t16?17?1819+2122?24?m1s1
O=C((C@)12CC3CC(C1)CC(C2)(C3)Cl)OC(C@H)1CCC(N+)2((C@H)1CCCC2)C(I)
ZINC000252461040
ZINC000252461041
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