Vitas-M small molecule compound
(2E)-3-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
Catalog ID
STK993624
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(s1)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 C13H8BrNO3S MW 338.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8BrNO3S/c14-13-8-6-11(19-13)5-7-12(16)9-1-3-10(4-2-9)15(17)18/h1-8H/b7-5+InChIKey
YIFSQLQSEPJVBE-FNORWQNLSA-NSynonyms
(2E)3(5bromothiophen2yl)1(4nitrophenyl)prop2en1one
(E)3(5BROMOTHIOPHEN2YL)1(4NITROPHENYL)PROP2EN1ONE
C1=CC(=CC=C1C(=O)C=CC2=CC=C(S2)Br)(N+)(=O)(O)
InChI=1SC13H8BrNO3Sc14138611(1913)5712(16)91310(429)15(17)18h18Hb75+
MFCD00957595
O=C(c1ccc(cc1)(N+)(=O)(O))C=Cc1ccc(s1)Br
ZINC000005128232
ZINC05128232
ZINC5128232
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