Vitas-M small molecule compound
(3E)-3-[(5-bromofuran-2-yl)methylidene]-5-(2-methylpropyl)furan-2(3H)-one
Catalog ID
STK529172
SMILES CC(CC1=C/C(=C\c2ccc(o2)Br)/C(=O)O1)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 C13H13BrO3 MW 297.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrO3/c1-8(2)5-11-7-9(13(15)17-11)6-10-3-4-12(14)16-10/h3-4,6-8H,5H2,1-2H3/b9-6+InChIKey
OPNNSKRDGKQQRA-RMKNXTFCSA-NSynonyms
374091-31-3(3E)3((5bromofuran2yl)methylidene)5(2methylpropyl)furan2(3H)one
(3E)3((5BROMOFURAN2YL)METHYLIDENE)5(2METHYLPROPYL)FURAN2ONE
(E)3((5bromofuran2yl)methylene)5isobutylfuran2(3H)one
374091313
CC(C)CC1=CC(=CC2=CC=C(O2)Br)C(=O)O1
CC(CC1=CC(=Cc2ccc(o2)Br)C(=O)O1)C
InChI=1SC13H13BrO3c18(2)51179(13(15)1711)6103412(14)1610h3468H5H212H3b96+
MFCD01950850
ZINC000004808360
ZINC04808360
ZINC4808360
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