Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL178873
SMILES CCOc1cc(ccc1O)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2
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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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-2-32-23-16-19(8-9-21(23)29)26-20-5-3-4-12-27(20,31)13-14-28(26)25(30)11-7-18-6-10-22-24(15-18)34-17-33-22/h6-11,15-16,20,26,29,31H,2-5,12-14,17H2,1H3/b11-7+InChIKey
AEMFCFMXFWCPLU-YRNVUSSQSA-NSynonyms
1024754-03-7(2E)3(13benzodioxol5yl)1(1(3ethoxy4hydroxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)3(13benzodioxol5yl)1(1(3ethoxy4hydroxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)prop2en1one
1024754037
CCOC1=C(C=CC(=C1)C2C3CCCCC3(CCN2C(=O)C=CC4=CC5=C(C=C4)OCO5)O)O
CCOc1cc(ccc1O)C1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC27H31NO6c1232231619(8921(23)29)26205341227(2031)131428(26)25(30)117186102224(1518)34173322h611151620262931H25121417H21H3b117+
MFCD04145931
ZINC000002104616
ZINC000105544619
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