Vitas-M small molecule compound
(2E)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STL532267
SMILES COc1cc(/C=C/C(=O)N2CCC3(C(C2c2ccccc2OC)CCCC3)O)cc(c1OC)OC
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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 C28H35NO6 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO6/c1-32-22-11-6-5-9-20(22)26-21-10-7-8-14-28(21,31)15-16-29(26)25(30)13-12-19-17-23(33-2)27(35-4)24(18-19)34-3/h5-6,9,11-13,17-18,21,26,31H,7-8,10,14-16H2,1-4H3/b13-12+InChIKey
BHFPXTLPNRCOFN-OUKQBFOZSA-NSynonyms
(~(E))1(4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3(345trimethoxyphenyl)prop2en1one
(2E)1(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
(E)1((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
135639405
COc1cc(C=CC(=O)N2CCC3(C((C@@H)2c2ccccc2OC)CCCC3)O)cc(c1OC)OC
InChI=1SC28H35NO6c132221165920(22)262110781428(2131)151629(26)25(30)1312191723(332)27(354)24(1819)343h56911131718212631H78101416H214H3b1312+
MFCD04142553
ZINC000002097204
ZINC000037242790
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