Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STL347505
SMILES O=C(N1CCC2(C(C1)CCCC2)O)/C=C/c1ccccc1Cl
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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 C18H22ClNO2 MW 319.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClNO2/c19-16-7-2-1-5-14(16)8-9-17(21)20-12-11-18(22)10-4-3-6-15(18)13-20/h1-2,5,7-9,15,22H,3-4,6,10-13H2/b9-8+InChIKey
LJANJGCDCZIOID-CMDGGOBGSA-NSynonyms
(2E)3(2chlorophenyl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
(E)1(4ahydroxy13456788aoctahydroisoquinolin2yl)3(2chlorophenyl)prop2en1one
(E)3(2chlorophenyl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)prop2en1one
C1CCC2(CCN(CC2C1)C(=O)C=CC3=CC=CC=C3Cl)O
InChI=1SC18H22ClNO2c1916721514(16)8917(21)20121118(22)1043615(18)1320h125791522H3461013H2b98+
MFCD28032262
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)C=Cc1ccccc1Cl
O=C(N1CCC2(C(C1)CCCC2)O)C=Cc1ccccc1Cl
ZINC000005477798
ZINC000016000849
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