Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)amino]prop-2-en-1-one
Catalog ID
STK902282
SMILES Brc1ccc(cc1)N/C=C/C(=O)c1ccc2c(c1)OCO2
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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/c17-12-2-4-13(5-3-12)18-8-7-14(19)11-1-6-15-16(9-11)21-10-20-15/h1-9,18H,10H2/b8-7+InChIKey
XMWJUUMZULLCBA-BQYQJAHWSA-NSynonyms
(2E)1(13benzodioxol5yl)3((4bromophenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(4bromoanilino)prop2en1one
Brc1ccc(cc1)NC=CC(=O)c1ccc2c(c1)OCO2
C1OC2=C(O1)C=C(C=C2)C(=O)C=CNC3=CC=C(C=C3)Br
InChI=1SC16H12BrNO3c17122413(5312)188714(19)11161516(911)21102015h1918H10H2b87+
MFCD18174808
ZINC000044842657
ZINC44842657
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