Vitas-M small molecule compound
[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl](3,4,5-triethoxyphenyl)methanone
Catalog ID
STL537912
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)N1CCC2(C(C1c1ccccc1OC)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 C29H39NO6 MW 497.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO6/c1-5-34-24-18-20(19-25(35-6-2)27(24)36-7-3)28(31)30-17-16-29(32)15-11-10-13-22(29)26(30)21-12-8-9-14-23(21)33-4/h8-9,12,14,18-19,22,26,32H,5-7,10-11,13,15-17H2,1-4H3InChIKey
UPMJQMWLDRYCIQ-UHFFFAOYSA-NSynonyms
((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)(345triethoxyphenyl)methanone
(4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)(345triethoxyphenyl)methanone
(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)(345triethoxyphenyl)methanone
3830373
CCOc1cc(cc(c1OCC)OCC)C(=O)N1CCC2(C((C@@H)1c1ccccc1OC)CCCC2)O
InChI=1SC29H39NO6c1534241820(1925(3562)27(24)3673)28(31)30171629(32)1511101322(29)26(30)2112891423(21)334h8912141819222632H571011131517H214H3
MFCD04145145
ZINC000002103475
ZINC000504170834
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