Vitas-M small molecule compound
(2E)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STL537413
SMILES COc1ccc(cc1)/C=C/C(=O)N1CCC2(C(C1c1ccc(cc1)OC)CCCC2)O
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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/c1-30-21-11-6-19(7-12-21)8-15-24(28)27-18-17-26(29)16-4-3-5-23(26)25(27)20-9-13-22(31-2)14-10-20/h6-15,23,25,29H,3-5,16-18H2,1-2H3/b15-8+InChIKey
XAXWXKBSOOOXDQ-OVCLIPMQSA-NSynonyms
(~(E))1(4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3(4methoxyphenyl)prop2en1one
(2E)1(4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)3(4methoxyphenyl)prop2en1one
(E)1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)3(4methoxyphenyl)prop2en1one
5834694
COc1ccc(cc1)C=CC(=O)N1CCC2(C((C@@H)1c1ccc(cc1)OC)CCCC2)O
InChI=1SC26H31NO4c1302111619(71221)81524(28)27181726(29)1643523(26)25(27)2091322(312)141020h615232529H351618H212H3b158+
MFCD04144422
ZINC000002156628
ZINC000504170872
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