Vitas-M small molecule compound
2-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}quinazolin-4(3H)-one
Catalog ID
STK227886
SMILES COc1cc(cc(c1OCc1ccc(cc1)F)Br)c1nc2ccccc2c(=O)[nH]1
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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 C22H16BrFN2O3 MW 455.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrFN2O3/c1-28-19-11-14(21-25-18-5-3-2-4-16(18)22(27)26-21)10-17(23)20(19)29-12-13-6-8-15(24)9-7-13/h2-11H,12H2,1H3,(H,25,26,27)InChIKey
CHHUMCYPTGWEPJ-UHFFFAOYSA-NSynonyms
2(3bromo4((4fluorobenzyl)oxy)5methoxyphenyl)quinazolin4(3H)one
2(3bromo4((4fluorophenyl)methoxy)5methoxyphenyl)1Hquinazolin4one
COC1=C(C(=CC(=C1)C2=NC(=O)C3=CC=CC=C3N2)Br)OCC4=CC=C(C=C4)F
COc1cc(cc(c1OCc1ccc(cc1)F)Br)c1nc2ccccc2c(=O)(nH)1
InChI=1SC22H16BrFN2O3c128191114(212518532416(18)22(27)2621)1017(23)20(19)2912136815(24)9713h211H12H21H3(H252627)
MFCD04359557
ZINC09236158
ZINC9236158
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