Vitas-M small molecule compound
(2E)-3-(4-fluorophenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one
Catalog ID
STL513568
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)C(=O)/C=C/c1ccc(cc1)F
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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 C21H20FNO4 MW 369.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FNO4/c1-23-10-9-15-16(11-23)19(25-2)21-20(26-12-27-21)18(15)17(24)8-5-13-3-6-14(22)7-4-13/h3-8H,9-12H2,1-2H3/b8-5+InChIKey
AQRGDSMHLFQTGK-VMPITWQZSA-NSynonyms
370583-11-2(~(E))3(4fluorophenyl)1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(2E)3(4fluorophenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(E)3(4fluorophenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(E)3(4FLUOROPHENYL)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN9YL)PROP2EN1ONE
370583112
5899550
COc1c2CN(C)CCc2c(c2c1OCO2)C(=O)C=Cc1ccc(cc1)F
InChI=1SC21H20FNO4c1231091516(1123)19(252)2120(26122721)18(15)17(24)85133614(22)7413h38H912H212H3b85+
MFCD03005801
ZINC000020112595
ZINC20112595
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