Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL546628
SMILES COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)/C=C/c1ccc(c(c1)OC)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/c1-32-20-10-12-23(33-2)21(18-20)27-22-7-5-6-14-28(22,31)15-16-29(27)26(30)13-9-19-8-11-24(34-3)25(17-19)35-4/h8-13,17-18,22,27,31H,5-7,14-16H2,1-4H3/b13-9+/t22-,27-,28-/m0/s1InChIKey
RTBPURPJLYMUQJ-QZUKEFDTSA-NSynonyms
956961-12-9(~(E))1((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(34dimethoxyphenyl)prop2en1one
(2E)3(34dimethoxyphenyl)1((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)3(34dimethoxyphenyl)1((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
16399961
956961129
COc1ccc(c(c1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc(c(c1)OC)OC)OC
InChI=1SC28H35NO6c13220101223(332)21(1820)27227561428(2231)151629(27)26(30)1391981124(343)25(1719)354h8131718222731H571416H214H3b139+t222728m0s1
MFCD06764575
ZINC000008917979
ZINC8917979
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