Vitas-M small molecule compound

(2E)-3-(4-fluorophenyl)-1-(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)prop-2-en-1-one

Catalog ID
STK574153
SMILES Fc1ccc(cc1)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCO1

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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 C20H16FNO3 MW 337.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FNO3/c1-13-17-11-19-18(24-12-25-19)10-15(17)8-9-22(13)20(23)7-4-14-2-5-16(21)6-3-14/h2-7,10-11H,1,8-9,12H2/b7-4+
InChIKey
FIJRGZMANFWEOA-QPJJXVBHSA-N
Synonyms
883958-66-5
(2E)3(4fluorophenyl)1(5methylidene78dihydro(13)dioxolo(45g)isoquinolin6(5H)yl)prop2en1one
(E)3(4fluorophenyl)1(5methylene78dihydro(13)dioxolo(45g)isoquinolin6(5H)yl)prop2en1one
(E)3(4FLUOROPHENYL)1(5METHYLIDENE78DIHYDRO(13)DIOXOLO(45G)ISOQUINOLIN6YL)PROP2EN1ONE
883958665
C=C1C2=CC3=C(C=C2CCN1C(=O)C=CC4=CC=C(C=C4)F)OCO3
Fc1ccc(cc1)C=CC(=O)N1CCc2c(C1=C)cc1c(c2)OCO1
InChI=1SC20H16FNO3c11317111918(24122519)1015(17)8922(13)20(23)74142516(21)6314h271011H18912H2b74+
MFCD06789227
ZINC000005347078
ZINC05347078
ZINC5347078

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Available files

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