Vitas-M small molecule compound
(1S,9aS)-5-methyl-1-({[(2-oxo-2H-chromen-3-yl)carbonyl]oxy}methyl)octahydro-2H-quinolizinium
Catalog ID
STL552895
SMILES O=C(c1cc2ccccc2oc1=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 C21H26NO4 MW 356.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26NO4/c1-22-11-5-4-9-18(22)16(8-6-12-22)14-25-20(23)17-13-15-7-2-3-10-19(15)26-21(17)24/h2-3,7,10,13,16,18H,4-6,8-9,11-12,14H2,1H3/q+1/t16-,18+,22?/m1/s1InChIKey
VKUSZJSOAHGCMP-CKYAKLRSSA-NSynonyms
((1~(S)9~(a)~(S))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl2oxochromene3carboxylate
(1R9aR)5methyl1(((2oxo2Hchromene3carbonyl)oxy)methyl)decahydroquinolizin5iumiodide
(1S9aS)5methyl1((((2oxo2Hchromen3yl)carbonyl)oxy)methyl)octahydro2Hquinolizinium
6985670
InChI=1SC21H26NO4c1221154918(22)16(861222)142520(23)1713157231019(15)2621(17)24h23710131618H4689111214H21H3q+1t1618+22?m1s1
O=C(c1cc2ccccc2oc1=O)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
ZINC000253488008
ZINC000253488009
ZINC6184053
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