Vitas-M small molecule compound
2-bromo-4-{(E)-[5-(4-methylphenyl)-2-oxofuran-3(2H)-ylidene]methyl}-6-nitrophenyl acetate
Catalog ID
STL363663
SMILES CC(=O)Oc1c(Br)cc(cc1[N+](=O)[O-])/C=C/1\C=C(OC1=O)c1ccc(cc1)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 C20H14BrNO6 MW 444.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrNO6/c1-11-3-5-14(6-4-11)18-10-15(20(24)28-18)7-13-8-16(21)19(27-12(2)23)17(9-13)22(25)26/h3-10H,1-2H3/b15-7+InChIKey
OBRARIPCPRHDCO-VIZOYTHASA-NSynonyms
(2BROMO4((E)(5(4METHYLPHENYL)2OXOFURAN3YLIDENE)METHYL)6NITROPHENYL)ACETATE
(E)2bromo6nitro4((2oxo5(ptolyl)furan3(2H)ylidene)methyl)phenylacetate
2bromo4((E)(5(4methylphenyl)2oxofuran3(2H)ylidene)methyl)6nitrophenylacetate
CC(=O)Oc1c(Br)cc(cc1(N+)(=O)(O))C=C1C=C(OC1=O)c1ccc(cc1)C
CC1=CC=C(C=C1)C2=CC(=CC3=CC(=C(C(=C3)Br)OC(=O)C)(N+)(=O)(O))C(=O)O2
InChI=1SC20H14BrNO6c1113514(6411)181015(20(24)2818)713816(21)19(2712(2)23)17(913)22(25)26h310H12H3b157+
MFCD02628839
ZINC000013801055
ZINC13801055
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