Vitas-M small molecule compound

(2E)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Catalog ID
STL566002
SMILES COc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1cc(OC)c(c(c1)OC)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/c1-32-21-11-9-20(10-12-21)26-22-7-5-6-14-28(22,31)15-16-29(26)25(30)13-8-19-17-23(33-2)27(35-4)24(18-19)34-3/h8-13,17-18,22,26,31H,5-7,14-16H2,1-4H3/b13-8+
InChIKey
HJEXUIUMAWTMIL-MDWZMJQESA-N
Synonyms
1025189-75-6
(2E)1(4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
(E)1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
(E)1(4ahydroxy1(4methoxyphenyl)13456788aoctahydroisoquinolin2yl)3(345trimethoxyphenyl)prop2en1one
1025189756
6216934
COc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1cc(OC)c(c(c1)OC)OC
InChI=1SC28H35NO6c1322111920(101221)26227561428(2231)151629(26)25(30)138191723(332)27(354)24(1819)343h8131718222631H571416H214H3b138+
MFCD04144187
ZINC000008789860
ZINC000012880407

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Available files

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