Vitas-M small molecule compound
(2E)-3-[(4-bromo-2-fluorophenyl)amino]-1-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Catalog ID
STK987051
SMILES Brc1ccc(c(c1)F)N/C=C/C(=O)c1ccc(cc1)C(C)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 C18H17BrFNO MW 362.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrFNO/c1-12(2)13-3-5-14(6-4-13)18(22)9-10-21-17-8-7-15(19)11-16(17)20/h3-12,21H,1-2H3/b10-9+InChIKey
IYUPBBLZHRRWFX-MDZDMXLPSA-NSynonyms
(2E)3((4bromo2fluorophenyl)amino)1(4(propan2yl)phenyl)prop2en1one
(E)3(4bromo2fluoroanilino)1(4propan2ylphenyl)prop2en1one
Brc1ccc(c(c1)F)NC=CC(=O)c1ccc(cc1)C(C)C
CC(C)C1=CC=C(C=C1)C(=O)C=CNC2=C(C=C(C=C2)Br)F
InChI=1SC18H17BrFNOc112(2)133514(6413)18(22)91021178715(19)1116(17)20h31221H12H3b109+
MFCD18183904
ZINC000051318692
ZINC51318692
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