Vitas-M small molecule compound
(2E)-2-(4-chlorobenzylidene)-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Catalog ID
STL566271
SMILES Clc1ccc(cc1)/C=C\1/C(=O)C(C)C2CC1C2(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 C17H19ClO MW 274.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClO/c1-10-14-9-15(17(14,2)3)13(16(10)19)8-11-4-6-12(18)7-5-11/h4-8,10,14-15H,9H2,1-3H3/b13-8+InChIKey
PXJGEAZXDDGPDF-MDWZMJQESA-NSynonyms
1008606-78-7(2E)2((4chlorophenyl)methylidene)466trimethylbicyclo(311)heptan3one
(2E)2(4chlorobenzylidene)466trimethylbicyclo(311)heptan3one
(E)2(4chlorobenzylidene)466trimethylbicyclo(311)heptan3one
1008606787
5935484
Clc1ccc(cc1)C=C1C(=O)C(C)C2CC1C2(C)C
InChI=1SC17H19ClOc11014915(17(142)3)13(16(10)19)8114612(18)7511h48101415H9H213H3b138+
MFCD00233430
ZINC000100740651
ZINC000100740652
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