Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one
Catalog ID
STK075129
SMILES C/C(=C\C(=O)c1ccc(cc1)Br)/Nc1ccc2c(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 C17H14BrNO3 MW 360.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrNO3/c1-11(8-15(20)12-2-4-13(18)5-3-12)19-14-6-7-16-17(9-14)22-10-21-16/h2-9,19H,10H2,1H3/b11-8+InChIKey
JVZAVILNYDAJAV-DHZHZOJOSA-NSynonyms
(2E)3(13BENZODIOXOL5YLAMINO)1(4BROMOPHENYL)BUT2EN1ONE
(E)3(13BENZODIOXOL5YLAMINO)1(4BROMOPHENYL)BUT2EN1ONE
CC(=CC(=O)C1=CC=C(C=C1)Br)NC2=CC3=C(C=C2)OCO3
CC(=CC(=O)c1ccc(cc1)Br)Nc1ccc2c(c1)OCO2
InChI=1SC17H14BrNO3c111(815(20)122413(18)5312)1914671617(914)22102116h2919H10H21H3b118+
MFCD03716573
STK075129
ZINC000005561281
ZINC05561281
ZINC5561281
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