Vitas-M small molecule compound
(1R,9aR)-1-(hydroxymethyl)-5-[(2E)-3-phenylprop-2-en-1-yl]octahydro-2H-quinolizinium
Catalog ID
STL553293
SMILES OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C/C=C/c1ccccc1
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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 C19H28NO MW 286.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28NO/c21-16-18-11-7-15-20(13-5-4-12-19(18)20)14-6-10-17-8-2-1-3-9-17/h1-3,6,8-10,18-19,21H,4-5,7,11-16H2/q+1/b10-6+/t18-,19+,20?/m0/s1InChIKey
DQDGHVIJYQKOOP-WCVGHQMJSA-NSynonyms
((1~(R)9~(a)~(R))5((~(E))3phenylprop2enyl)23467899~(a)octahydro1~(H)quinolizin5ium1yl)methanol
(1R9aR)1(hydroxymethyl)5((2E)3phenylprop2en1yl)octahydro2Hquinolizinium
(1R9aR)5cinnamyl1(hydroxymethyl)decahydroquinolizin5iumchloride
7003196
InChI=1SC19H28NOc2116181171520(13541219(18)20)14610178213917h136810181921H4571116H2q+1b106+t1819+20?m0s1
OC(C@@H)1CCC(N+)2((C@@H)1CCCC2)CC=Cc1ccccc1(Cl)
ZINC000253390383
ZINC000253390387
ZINC4083639
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