Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STL547876
SMILES COc1cc(/C=C/C(=O)N2CCC3(C(C2)CCCC3)O)ccc1OC
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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 C20H27NO4 MW 345.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO4/c1-24-17-8-6-15(13-18(17)25-2)7-9-19(22)21-12-11-20(23)10-4-3-5-16(20)14-21/h6-9,13,16,23H,3-5,10-12,14H2,1-2H3/b9-7+InChIKey
LFYOCZKXTODFDI-VQHVLOKHSA-NSynonyms
(~(E))1(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(34dimethoxyphenyl)prop2en1one
(2E)3(34dimethoxyphenyl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)3(34DIMETHOXYPHENYL)1(4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)PROP2EN1ONE
6081403
COc1cc(C=CC(=O)N2CCC3(C(C2)CCCC3)O)ccc1OC
InChI=1SC20H27NO4c124178615(1318(17)252)7919(22)21121120(23)1043516(20)1421h69131623H35101214H212H3b97+
MFCD08541524
ZINC000002109937
ZINC000007616143
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