Vitas-M small molecule compound

(2-methoxy-5-{[4-(4-methylphenyl)phthalazin-1-yl]amino}phenyl)(piperidin-1-yl)methanone

Catalog ID
STK546836
SMILES COc1ccc(cc1C(=O)N1CCCCC1)Nc1nnc(c2c1cccc2)c1ccc(cc1)C

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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 C28H28N4O2 MW 452.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2/c1-19-10-12-20(13-11-19)26-22-8-4-5-9-23(22)27(31-30-26)29-21-14-15-25(34-2)24(18-21)28(33)32-16-6-3-7-17-32/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31)
InChIKey
SCXVLXCGVBVLJG-UHFFFAOYSA-N
Synonyms
797020-64-5
(2methoxy5((4(4methylphenyl)phthalazin1yl)amino)phenyl)(piperidin1yl)methanone
(2METHOXY5((4(4METHYLPHENYL)PHTHALAZIN1YL)AMINO)PHENYL)PIPERIDIN1YLMETHANONE
(2methoxy5((4(ptolyl)phthalazin1yl)amino)phenyl)(piperidin1yl)methanone
(2METHOXY5(4PTOLYLPHTHALAZIN1YLAMINO)PHENYL)PIPERIDIN1YLMETHANONE
797020645
CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5
InChI=1SC28H28N4O2c119101220(131119)2622845923(22)27(313026)2921141525(342)24(1821)28(33)32166371732h4581518H3671617H212H3(H2931)
MFCD03663716
ZINC000002367452
ZINC02367452
ZINC2367452

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Available files

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