Vitas-M small molecule compound
(1R,9aR)-1-({[(2-bromo-1-methylcyclopropyl)carbonyl]oxy}methyl)-5-methyloctahydro-2H-quinolizinium
Catalog ID
STL552871
SMILES BrC1CC1(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 C16H27BrNO2 MW 345.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27BrNO2/c1-16(10-14(16)17)15(19)20-11-12-6-5-9-18(2)8-4-3-7-13(12)18/h12-14H,3-11H2,1-2H3/q+1/t12-,13+,14?,16?,18?/m0/s1InChIKey
CIGRASSTVHFEOB-JQPKICPFSA-NSynonyms
((1~(R)9~(a)~(R))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl2bromo1methylcyclopropane1carboxylate
(1R9aR)1((((2bromo1methylcyclopropyl)carbonyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1R9aR)1(((2bromo1methylcyclopropanecarbonyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
16397000
BrC1CC1(C)C(=O)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
InChI=1SC16H27BrNO2c116(1014(16)17)15(19)20111265918(2)843713(12)18h1214H311H212H3q+1t1213+14?16?18?m0s1
ZINC000252441048
ZINC000252441051
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