Vitas-M small molecule compound
(2E)-1-[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Catalog ID
STL528971
SMILES COc1ccc(cc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C)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 C29H37NO4 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO4/c1-20(2)22-11-8-21(9-12-22)10-15-27(31)30-18-17-29(32)16-6-5-7-25(29)28(30)24-19-23(33-3)13-14-26(24)34-4/h8-15,19-20,25,28,32H,5-7,16-18H2,1-4H3/b15-10+InChIKey
FHVRGUDAYULVOA-XNTDXEJSSA-NSynonyms
(~(E))1(1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(4propan2ylphenyl)prop2en1one
(2E)1(1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4(propan2yl)phenyl)prop2en1one
(E)1((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4isopropylphenyl)prop2en1one
5916251
COc1ccc(cc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc(cc1)C(C)C)OC
InChI=1SC29H37NO4c120(2)2211821(91222)101527(31)30181729(32)1665725(29)28(30)241923(333)131426(24)344h8151920252832H571618H214H3b1510+
MFCD04145671
ZINC000002103927
ZINC001614467064
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