Vitas-M small molecule compound
(2E)-1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Catalog ID
STL512279
SMILES COc1cc(OC)ccc1C1N(CCC2(C1CCCC2)O)C(=O)/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 C26H31NO4 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4/c1-30-20-12-13-21(23(18-20)31-2)25-22-10-6-7-15-26(22,29)16-17-27(25)24(28)14-11-19-8-4-3-5-9-19/h3-5,8-9,11-14,18,22,25,29H,6-7,10,15-17H2,1-2H3/b14-11+InChIKey
OPSSSWJBIKGPHY-SDNWHVSQSA-NSynonyms
(~(E))1(1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3phenylprop2en1one
(2E)1(1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3phenylprop2en1one
(E)1((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3phenylprop2en1one
6289883
COc1cc(OC)ccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccccc1
InChI=1SC26H31NO4c13020121321(23(1820)312)252210671526(2229)161727(25)24(28)1411198435919h3589111418222529H67101517H212H3b1411+
MFCD04146342
ZINC000002106247
ZINC000015953639
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