Vitas-M small molecule compound
(2E)-1-(4-bromophenyl)-3-[(2-ethyl-6-methylphenyl)amino]prop-2-en-1-one
Catalog ID
STK060449
SMILES CCc1cccc(c1N/C=C/C(=O)c1ccc(cc1)Br)C
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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 C18H18BrNO MW 344.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO/c1-3-14-6-4-5-13(2)18(14)20-12-11-17(21)15-7-9-16(19)10-8-15/h4-12,20H,3H2,1-2H3/b12-11+InChIKey
LDKAHSYEUXKMLL-VAWYXSNFSA-NSynonyms
(2E)1(4BROMOPHENYL)3((2ETHYL6METHYLPHENYL)AMINO)PROP2EN1ONE
(E)1(4BROMOPHENYL)3(2ETHYL6METHYLANILINO)PROP2EN1ONE
CCC1=CC=CC(=C1NC=CC(=O)C2=CC=C(C=C2)Br)C
CCc1cccc(c1NC=CC(=O)c1ccc(cc1)Br)C
InChI=1SC18H18BrNOc131464513(2)18(14)20121117(21)157916(19)10815h41220H3H212H3b1211+
MFCD02911701
STK060449
ZINC000009553490
ZINC09553490
ZINC9553490
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