Vitas-M small molecule compound
diethyl (3-bromo-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)propanedioate
Catalog ID
STK527328
SMILES CCOC(=O)C(c1cc(Br)c2c3c1C(=O)c1ccccc1c3on2)C(=O)OCC
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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 C21H16BrNO6 MW 458.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrNO6/c1-3-27-20(25)15(21(26)28-4-2)12-9-13(22)17-16-14(12)18(24)10-7-5-6-8-11(10)19(16)29-23-17/h5-9,15H,3-4H2,1-2H3InChIKey
HFSGTAOLUKMOQF-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C(=C1)Br)C(=O)OCC
diethyl(3bromo6oxo6Hanthra(19cd)(12)oxazol5yl)propanedioate
diethyl2(3bromo6oxo6Hanthra(19cd)isoxazol5yl)malonate
InChI=1SC21H16BrNO6c132720(25)15(21(26)2842)12913(22)171614(12)18(24)10756811(10)19(16)292317h5915H34H212H3
MFCD01653895
ZINC000002295296
ZINC02295296
ZINC2295296
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