Vitas-M small molecule compound
(2E)-1-[1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Catalog ID
STL178866
SMILES CCOc1cc(ccc1O)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C
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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/c1-4-34-26-19-23(13-14-25(26)31)28-24-7-5-6-16-29(24,33)17-18-30(28)27(32)15-10-21-8-11-22(12-9-21)20(2)3/h8-15,19-20,24,28,31,33H,4-7,16-18H2,1-3H3/b15-10+InChIKey
GDDAKERLPJTVKL-XNTDXEJSSA-NSynonyms
(2E)1(1(3ethoxy4hydroxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4(propan2yl)phenyl)prop2en1one
(E)1(1(3ethoxy4hydroxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)3(4propan2ylphenyl)prop2en1one
CCOC1=C(C=CC(=C1)C2C3CCCCC3(CCN2C(=O)C=CC4=CC=C(C=C4)C(C)C)O)O
CCOc1cc(ccc1O)C1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc(cc1)C(C)C
InChI=1SC29H37NO4c1434261923(131425(26)31)28247561629(2433)171830(28)27(32)15102181122(12921)20(2)3h815192024283133H471618H213H3b1510+
MFCD04142211
ZINC000002152747
ZINC000105544649
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