Vitas-M small molecule compound
(1S,9aS)-1-({[(3-bromo-4-methoxyphenyl)acetyl]oxy}methyl)-5-methyloctahydro-2H-quinolizinium
Catalog ID
STL552820
SMILES COc1ccc(cc1Br)CC(=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 C20H29BrNO3 MW 411.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29BrNO3/c1-22-10-4-3-7-18(22)16(6-5-11-22)14-25-20(23)13-15-8-9-19(24-2)17(21)12-15/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3/q+1/t16-,18+,22?/m1/s1InChIKey
CROUFIXEGPEITQ-CKYAKLRSSA-NSynonyms
((1~(S)9~(a)~(S))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl2(3bromo4methoxyphenyl)acetate
(1S9aS)1((((3bromo4methoxyphenyl)acetyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1S9aS)1((2(3bromo4methoxyphenyl)acetoxy)methyl)5methyldecahydroquinolizin5iumiodide
6985599
COc1ccc(cc1Br)CC(=O)OC(C@H)1CCC(N+)2((C@H)1CCCC2)C(I)
InChI=1SC20H29BrNO3c1221043718(22)16(651122)142520(23)13158919(242)17(21)1215h89121618H3710111314H212H3q+1t1618+22?m1s1
ZINC000252441058
ZINC000252441059
ZINC4028449
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