Vitas-M small molecule compound
(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one
Catalog ID
STL023581
SMILES O=C(/C=C/c1ccc(o1)[N+](=O)[O-])/C=C/c1ccc(o1)[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 C13H8N2O7 MW 304.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O7/c16-9(1-3-10-5-7-12(21-10)14(17)18)2-4-11-6-8-13(22-11)15(19)20/h1-8H/b3-1+,4-2+InChIKey
LUWVSMYASMXSJY-ZPUQHVIOSA-NSynonyms
2152-70-7(1E4E)15bis(5nitrofuran2yl)penta14dien3one
15BIS(5NITRO2FURYL)14PENTADIEN3ONE
15BIS(5NITROFURAN2YL)PENTA14DIEN3ONE
2152707
C1=C(OC(=C1)(N+)(=O)(O))C=CC(=O)C=CC2=CC=C(O2)(N+)(=O)(O)
InChI=1SC13H8N2O7c169(13105712(2110)14(17)18)24116813(2211)15(19)20h18Hb31+42+
MFCD00086805
O=C(C=Cc1ccc(o1)(N+)(=O)(O))C=Cc1ccc(o1)(N+)(=O)(O)
ZINC000001583735
ZINC01583735
ZINC1583735
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