Vitas-M small molecule compound

[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl](2-methoxyphenyl)methanone

Catalog ID
STL533185
SMILES COc1cc(cc(c1OC)OC)C1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1OC

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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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-30-20-11-6-5-9-18(20)25(28)27-14-13-26(29)12-8-7-10-19(26)23(27)17-15-21(31-2)24(33-4)22(16-17)32-3/h5-6,9,11,15-16,19,23,29H,7-8,10,12-14H2,1-4H3
InChIKey
DBUXXLWNDUYMCQ-UHFFFAOYSA-N
Synonyms
1212398-61-2
((1R)4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)(2methoxyphenyl)methanone
(4~(a)hydroxy1(345trimethoxyphenyl)13456788~(a)octahydroisoquinolin2yl)(2methoxyphenyl)methanone
(4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)(2methoxyphenyl)methanone
1212398612
4639776
COc1cc(cc(c1OC)OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1OC
InChI=1SC26H33NO6c130201165918(20)25(28)27141326(29)12871019(26)23(27)171521(312)24(334)22(1617)323h569111516192329H78101214H214H3
MFCD04143976
ZINC000002100484
ZINC000230048802

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Available files

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