Vitas-M small molecule compound
(2E)-1-(4-nitrophenyl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
Catalog ID
STK993628
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(s1)[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 C13H8N2O5S MW 304.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8N2O5S/c16-12(9-1-3-10(4-2-9)14(17)18)7-5-11-6-8-13(21-11)15(19)20/h1-8H/b7-5+InChIKey
NLUHXAWUOSUWFX-FNORWQNLSA-NSynonyms
(2E)1(4nitrophenyl)3(5nitrothiophen2yl)prop2en1one
(E)1(4nitrophenyl)3(5nitrothiophen2yl)prop2en1one
C1=CC(=CC=C1C(=O)C=CC2=CC=C(S2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H8N2O5Sc1612(91310(429)14(17)18)75116813(2111)15(19)20h18Hb75+
MFCD01931746
O=C(c1ccc(cc1)(N+)(=O)(O))C=Cc1ccc(s1)(N+)(=O)(O)
ZINC000005944615
ZINC05944615
ZINC5944615
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