Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL237219
SMILES Fc1ccc(cc1)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 C25H26FNO4 MW 423.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FNO4/c26-19-8-6-18(7-9-19)24-20-3-1-2-12-25(20,29)13-14-27(24)23(28)11-5-17-4-10-21-22(15-17)31-16-30-21/h4-11,15,20,24,29H,1-3,12-14,16H2/b11-5+InChIKey
GBNHEOLDMFTOMH-VZUCSPMQSA-NSynonyms
1009272-72-3(2E)3(13benzodioxol5yl)1(1(4fluorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)3(13benzodioxol5yl)1(1(4fluorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1(1(4fluorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
1009272723
C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)F)C(=O)C=CC4=CC5=C(C=C4)OCO5)O
Fc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC25H26FNO4c26198618(7919)24203121225(2029)131427(24)23(28)115174102122(1517)31163021h41115202429H13121416H2b115+
MFCD04154639
ZINC000002399979
ZINC000230002129
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