Vitas-M small molecule compound
(4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Catalog ID
STK837877
SMILES O=C1OC(=N/C/1=C\c1cc2OCOc2cc1Br)c1cc(ccc1Cl)[N+](=O)[O-]
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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 C17H8BrClN2O6 MW 451.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H8BrClN2O6/c18-11-6-15-14(25-7-26-15)4-8(11)3-13-17(22)27-16(20-13)10-5-9(21(23)24)1-2-12(10)19/h1-6H,7H2/b13-3-InChIKey
UXDALHMBDGOHLN-DXNYSGJVSA-NSynonyms
(4Z)4((6bromo13benzodioxol5yl)methylidene)2(2chloro5nitrophenyl)13oxazol5(4H)one
(4Z)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)2(2CHLORO5NITROPHENYL)13OXAZOL5ONE
(Z)4((6bromobenzo(d)(13)dioxol5yl)methylene)2(2chloro5nitrophenyl)oxazol5(4H)one
4((6BROMO13BENZODIOXOL5YL)METHYLENE)2(2CHLORO5NITROPHENYL)13OXAZOL5(4H)ONE
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)OC(=N3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)Br
InChI=1SC17H8BrClN2O6c181161514(2572615)48(11)31317(22)2716(2013)1059(21(23)24)1212(10)19h16H7H2b133
MFCD00621063
O=C1OC(=NC1=Cc1cc2OCOc2cc1Br)c1cc(ccc1Cl)(N+)(=O)(O)
ZINC000008434998
ZINC08434998
ZINC8434998
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