Vitas-M small molecule compound
2-amino-4-{5-bromo-2-[(2-fluorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL388362
SMILES N#CC1=C(N)OC2=C(C1c1cc(Br)ccc1OCc1ccccc1F)C(=O)CC(C2)(C)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 C25H22BrFN2O3 MW 497.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrFN2O3/c1-25(2)10-19(30)23-21(11-25)32-24(29)17(12-28)22(23)16-9-15(26)7-8-20(16)31-13-14-5-3-4-6-18(14)27/h3-9,22H,10-11,13,29H2,1-2H3InChIKey
RQBHNHWQAJGCKX-UHFFFAOYSA-NSynonyms
2amino4(5bromo2((2fluorobenzyl)oxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(5BROMO2((2FLUOROPHENYL)METHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4F)C(=O)C1)C
InChI=1SC25H22BrFN2O3c125(2)1019(30)2321(1125)3224(29)17(1228)22(23)16915(26)7820(16)311314534618(14)27h3922H10111329H212H3
MFCD04151773
ZINC000000669272
ZINC000000669273
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