Vitas-M small molecule compound

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

Catalog ID
STK934590
SMILES COc1cc(ccc1OC)c1ccc(=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 C22H21N3O4 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4/c1-28-19-11-8-15(13-20(19)29-2)17-9-12-21(26)25(24-17)18-10-7-14-5-3-4-6-16(14)23-22(18)27/h3-6,8-9,11-13,18H,7,10H2,1-2H3,(H,23,27)
InChIKey
DWUIKGXKQGLXRS-UHFFFAOYSA-N
Synonyms
1219572-62-9
1219572629
3(3(34dimethoxyphenyl)6oxopyridazin1yl)1345tetrahydro1benzazepin2one
6(34dimethoxyphenyl)2(2hydroxy45dihydro3H1benzazepin3yl)pyridazin3(2H)one
COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)C3CCC4=CC=CC=C4NC3=O)OC
InChI=1SC22H21N3O4c1281911815(1320(19)292)1791221(26)25(2417)1810714534616(14)2322(18)27h3689111318H710H212H3(H2327)
MFCD18177839
ZINC000040266164
ZINC000040266165

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Available files

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