Vitas-M small molecule compound
2-[5-(4-bromophenyl)furan-2-yl]-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine
Catalog ID
STL443735
SMILES CCC1(CC)OC(Nc2c1cccc2)c1ccc(o1)c1ccc(cc1)Br
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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 C22H22BrNO2 MW 412.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO2/c1-3-22(4-2)17-7-5-6-8-18(17)24-21(26-22)20-14-13-19(25-20)15-9-11-16(23)12-10-15/h5-14,21,24H,3-4H2,1-2H3InChIKey
XSZCLOBAZIHQCR-UHFFFAOYSA-NSynonyms
2(5(4bromophenyl)furan2yl)44diethyl12dihydro31benzoxazine
2(5(4bromophenyl)furan2yl)44diethyl14dihydro2H31benzoxazine
CCC1(C2=CC=CC=C2NC(O1)C3=CC=C(O3)C4=CC=C(C=C4)Br)CC
InChI=1SC22H22BrNO2c1322(42)17756818(17)2421(2622)20141319(2520)1591116(23)121015h5142124H34H212H3
MFCD00741983
ZINC000003087906
ZINC000003087907
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