Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)amino]prop-2-en-1-one
Catalog ID
STK902280
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/Nc1ccccc1Br
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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 C16H12BrNO3 MW 346.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrNO3/c17-12-3-1-2-4-13(12)18-8-7-14(19)11-5-6-15-16(9-11)21-10-20-15/h1-9,18H,10H2/b8-7+InChIKey
RDSREUCDDPLFPK-BQYQJAHWSA-NSynonyms
(2E)1(13benzodioxol5yl)3((2bromophenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(2bromoanilino)prop2en1one
C1OC2=C(O1)C=C(C=C2)C(=O)C=CNC3=CC=CC=C3Br
InChI=1SC16H12BrNO3c1712312413(12)188714(19)11561516(911)21102015h1918H10H2b87+
MFCD18174806
O=C(c1ccc2c(c1)OCO2)C=CNc1ccccc1Br
ZINC000004905354
ZINC4905354
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