Vitas-M small molecule compound
(3E)-3-(4-fluorobenzylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Catalog ID
STK993616
SMILES Fc1ccc(cc1)/C=C\1/C(=O)C2(C(C1CC2)(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 C17H19FO MW 258.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FO/c1-16(2)14-8-9-17(16,3)15(19)13(14)10-11-4-6-12(18)7-5-11/h4-7,10,14H,8-9H2,1-3H3/b13-10+InChIKey
JKAHDFOOITVPQI-JLHYYAGUSA-NSynonyms
(2E)2((4fluorophenyl)methylidene)477trimethylbicyclo(221)heptan3one
(3E)3(4fluorobenzylidene)177trimethylbicyclo(221)heptan2one
CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)F)C)C
Fc1ccc(cc1)C=C1C(=O)C2(C(C1CC2)(C)C)C
InChI=1SC17H19FOc116(2)148917(163)15(19)13(14)10114612(18)7511h471014H89H213H3b1310+
MFCD18184921
ZINC000102447986
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