Vitas-M small molecule compound
(2E)-1-(3-bromophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
Catalog ID
STL382247
SMILES COc1ccc(cc1[N+](=O)[O-])/C=C/C(=O)c1cccc(c1)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 C16H12BrNO4 MW 362.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrNO4/c1-22-16-8-6-11(9-14(16)18(20)21)5-7-15(19)12-3-2-4-13(17)10-12/h2-10H,1H3/b7-5+InChIKey
USQVKHNFEYKEHJ-FNORWQNLSA-NSynonyms
(2E)1(3bromophenyl)3(4methoxy3nitrophenyl)prop2en1one
(E)1(3BROMOPHENYL)3(4METHOXY3NITROPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=CC=C2)Br)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=CC(=O)c1cccc(c1)Br
InChI=1SC16H12BrNO4c122168611(914(16)18(20)21)5715(19)1232413(17)1012h210H1H3b75+
MFCD01901397
ZINC000005069268
ZINC05069268
ZINC5069268
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