Vitas-M small molecule compound
(2E)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STL532875
SMILES COc1ccc(cc1)/C=C/C(=O)N1CC[C@@]2([C@H]([C@@H]1c1cc(OC)ccc1OC)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 C27H33NO5 MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5/c1-31-20-10-7-19(8-11-20)9-14-25(29)28-17-16-27(30)15-5-4-6-23(27)26(28)22-18-21(32-2)12-13-24(22)33-3/h7-14,18,23,26,30H,4-6,15-17H2,1-3H3/b14-9+/t23-,26-,27-/m0/s1InChIKey
LQWHCYUNLJBWIK-FWWPTEPJSA-NSynonyms
956953-48-3(~(E))1((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(4methoxyphenyl)prop2en1one
(2E)1((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methoxyphenyl)prop2en1one
(E)1((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methoxyphenyl)prop2en1one
16402231
956953483
COc1ccc(cc1)C=CC(=O)N1CCC2(C((C@@H)1c1cc(OC)ccc1OC)CCCC2)O
InChI=1SC27H33NO5c1312010719(81120)91425(29)28171627(30)1554623(27)26(28)221821(322)121324(22)333h71418232630H461517H213H3b149+t232627m0s1
MFCD06493198
ZINC000012875271
ZINC12875271
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