Vitas-M small molecule compound

2-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one

Catalog ID
STK735812
SMILES Cc1ccccc1N1C(=O)c2ccccc2NC1c1ccc2c3c1cccc3CC2

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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 C27H22N2O MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O/c1-17-7-2-5-12-24(17)29-26(28-23-11-4-3-9-22(23)27(29)30)21-16-15-19-14-13-18-8-6-10-20(21)25(18)19/h2-12,15-16,26,28H,13-14H2,1H3
InChIKey
SHWSIFUJNKGVDE-UHFFFAOYSA-N
Synonyms

2(12DIHYDROACENAPHTHYLEN5YL)3(2METHYLPHENYL)12DIHYDROQUINAZOLIN4ONE
2(12dihydroacenaphthylen5yl)3(2methylphenyl)23dihydroquinazolin4(1H)one
CC1=CC=CC=C1N2C(NC3=CC=CC=C3C2=O)C4=C5C=CC=C6C5=C(CC6)C=C4
InChI=1SC27H22N2Oc1177251224(17)2926(28231143922(23)27(29)30)21161519141318861020(21)25(18)19h21215162628H1314H21H3
MFCD05855360
ZINC000004628752
ZINC000004628754

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Available files

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