Vitas-M small molecule compound

(1R,9aR)-1-({[(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizinium

Catalog ID
STL552890
SMILES COc1c(cccc1OC)/C=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 C22H32NO4 MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32NO4/c1-23-14-5-4-10-19(23)18(9-7-15-23)16-27-21(24)13-12-17-8-6-11-20(25-2)22(17)26-3/h6,8,11-13,18-19H,4-5,7,9-10,14-16H2,1-3H3/q+1/b13-12+/t18-,19+,23?/m0/s1
InChIKey
WVJHZWSGUPUPNC-LKCPXVLKSA-N
Synonyms

((1~(R)9~(a)~(R))5methyl23467899~(a)octahydro1~(H)quinolizin5ium1yl)methyl(~(E))3(23dimethoxyphenyl)prop2enoate
(1R9aR)1((((2E)3(23dimethoxyphenyl)prop2enoyl)oxy)methyl)5methyloctahydro2Hquinolizinium
(1R9aR)1((((E)3(23dimethoxyphenyl)acryloyl)oxy)methyl)5methyldecahydroquinolizin5iumiodide
6985645
COc1c(cccc1OC)C=CC(=O)OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)C(I)
InChI=1SC22H32NO4c12314541019(23)18(971523)162721(24)131217861120(252)22(17)263h6811131819H4579101416H213H3q+1b1312+t1819+23?m0s1
ZINC000252441465
ZINC000252441466
ZINC4028585

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Available files

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