Vitas-M small molecule compound

6-(4-fluoro-2-methoxyphenyl)-2-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)pyridazin-3(2H)-one

Catalog ID
STK943701
SMILES COc1cc(F)ccc1c1ccc(=O)n(n1)C1CCc2c(N=C1O)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 C21H18FN3O3 MW 379.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O3/c1-28-19-12-14(22)7-8-15(19)17-9-11-20(26)25(24-17)18-10-6-13-4-2-3-5-16(13)23-21(18)27/h2-5,7-9,11-12,18H,6,10H2,1H3,(H,23,27)
InChIKey
CTSLEFKRWZKVCC-UHFFFAOYSA-N
Synonyms
1219573-08-6
1219573086
3(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)1345tetrahydro1benzazepin2one
6(4fluoro2methoxyphenyl)2(2hydroxy45dihydro3H1benzazepin3yl)pyridazin3(2H)one
COC1=C(C=CC(=C1)F)C2=NN(C(=O)C=C2)C3CCC4=CC=CC=C4NC3=O
InChI=1SC21H18FN3O3c128191214(22)7815(19)1791120(26)25(2417)1810613423516(13)2321(18)27h2579111218H610H21H3(H2327)
MFCD18180470
ZINC000040286734
ZINC000040286735

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Available files

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