Vitas-M small molecule compound
(2E)-1-(azepan-1-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
Catalog ID
STK440833
SMILES O=C(N1CCCCCC1)/C=C/c1c(F)cccc1Cl
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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 C15H17ClFNO MW 281.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClFNO/c16-13-6-5-7-14(17)12(13)8-9-15(19)18-10-3-1-2-4-11-18/h5-9H,1-4,10-11H2/b9-8+InChIKey
CLPBIGXTWWUMJM-CMDGGOBGSA-NSynonyms
(2E)1(azepan1yl)3(2chloro6fluorophenyl)prop2en1one
(2E)1AZAPERHYDROEPINYL3(6CHLORO2FLUOROPHENYL)PROP2EN1ONE
(E)1(AZEPAN1YL)3(2CHLORO6FLUOROPHENYL)PROP2EN1ONE
C1CCCN(CC1)C(=O)C=CC2=C(C=CC=C2Cl)F
InChI=1SC15H17ClFNOc161365714(17)12(13)8915(19)181031241118h59H141011H2b98+
MFCD03368130
O=C(N1CCCCCC1)C=Cc1c(F)cccc1Cl
ZINC000000475558
ZINC00475558
ZINC475558
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