Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL512280
SMILES COc1ccc(c(c1)OC)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(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/c1-32-20-10-11-21(24(18-20)34-3)27-22-7-5-6-14-28(22,31)15-16-29(27)26(30)13-9-19-8-12-23(33-2)25(17-19)35-4/h8-13,17-18,22,27,31H,5-7,14-16H2,1-4H3/b13-9+InChIKey
SOXDNXJXFYXTBP-UKTHLTGXSA-NSynonyms
(~(E))3(34dimethoxyphenyl)1(1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)prop2en1one
(2E)3(34dimethoxyphenyl)1(1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(2E)3(34DIMETHOXYPHENYL)1(2(24DIMETHOXYPHENYL)6HYDROXY3AZABICYCLO(440)DEC3YL)PROP2EN1ONE
(E)3(34dimethoxyphenyl)1((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
5901931
COc1ccc(c(c1)OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc(c(c1)OC)OC
InChI=1SC28H35NO6c13220101121(24(1820)343)27227561428(2231)151629(27)26(30)1391981223(332)25(1719)354h8131718222731H571416H214H3b139+
MFCD04145303
ZINC000002157444
ZINC000017724667
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