Vitas-M small molecule compound
(3E)-5-(4-bromophenyl)-3-(4-methoxy-3-nitrobenzylidene)furan-2(3H)-one
Catalog ID
STK197396
SMILES COc1ccc(cc1[N+](=O)[O-])/C=C/1\C=C(OC1=O)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 C18H12BrNO5 MW 402.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrNO5/c1-24-16-7-2-11(9-15(16)20(22)23)8-13-10-17(25-18(13)21)12-3-5-14(19)6-4-12/h2-10H,1H3/b13-8+InChIKey
VKABTMBVMSNWBW-MDWZMJQESA-NSynonyms
(3E)5(4BROMOPHENYL)3((4METHOXY3NITROPHENYL)METHYLIDENE)FURAN2ONE
(3E)5(4BROMOPHENYL)3(4METHOXY3NITROBENZYLIDENE)FURAN2(3H)ONE
5(4BROMOPHENYL)3((4METHOXY3NITROPHENYL)METHYLENE)FURAN2ONE
COC1=C(C=C(C=C1)C=C2C=C(OC2=O)C3=CC=C(C=C3)Br)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=C1C=C(OC1=O)c1ccc(cc1)Br
InChI=1SC18H12BrNO5c124167211(915(16)20(22)23)8131017(2518(13)21)123514(19)6412h210H1H3b138+
MFCD02107576
ZINC000001206938
ZINC01206938
ZINC1206938
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