Vitas-M small molecule compound
(1S,9aS)-5-methyl-1-({[(2,4,5-trimethylphenyl)carbonyl]oxy}methyl)octahydro-2H-quinolizinium
Catalog ID
STL552819
SMILES O=C(c1cc(C)c(cc1C)C)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 C21H32NO2 MW 330.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32NO2/c1-15-12-17(3)19(13-16(15)2)21(23)24-14-18-8-7-11-22(4)10-6-5-9-20(18)22/h12-13,18,20H,5-11,14H2,1-4H3/q+1/t18-,20+,22?/m1/s1InChIKey
HXRDLTAYKDJZSA-XAFCGNCNSA-NSynonyms
((1~(S)9~(a)~(S))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl245trimethylbenzoate
(1R9aR)5methyl1(((245trimethylbenzoyl)oxy)methyl)decahydroquinolizin5iumiodide
(1S9aS)5methyl1((((245trimethylphenyl)carbonyl)oxy)methyl)octahydro2Hquinolizinium
7002802
InChI=1SC21H32NO2c1151217(3)19(1316(15)2)21(23)241418871122(4)1065920(18)22h12131820H51114H214H3q+1t1820+22?m1s1
O=C(c1cc(C)c(cc1C)C)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
ZINC000252441137
ZINC000252441138
ZINC6188667
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