Vitas-M small molecule compound

(2E)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(4-fluorophenyl)prop-2-en-1-one

Catalog ID
STK408681
SMILES Fc1ccc(cc1)/C=C/C(=O)N1CCc2c(C1)cccc2

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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 C18H16FNO MW 281.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FNO/c19-17-8-5-14(6-9-17)7-10-18(21)20-12-11-15-3-1-2-4-16(15)13-20/h1-10H,11-13H2/b10-7+
InChIKey
DAMHXKOVGDYEHQ-JXMROGBWSA-N
Synonyms
313392-65-3
(2E)1(34dihydroisoquinolin2(1H)yl)3(4fluorophenyl)prop2en1one
(E)1(34DIHYDRO1HISOQUINOLIN2YL)3(4FLUOROPHENYL)PROP2EN1ONE
313392653
C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC=C(C=C3)F
Fc1ccc(cc1)C=CC(=O)N1CCc2c(C1)cccc2
InChI=1SC18H16FNOc19178514(6917)71018(21)20121115312416(15)1320h110H1113H2b107+
MFCD01243786
ZINC000000253588
ZINC00253588
ZINC253588

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.