Vitas-M small molecule compound

1-(4-chlorophenyl)-4,4,4-trifluoro-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butane-1,3-dione

Catalog ID
STK677651
SMILES O=C(C(C12CC3CC(C2)CC(C1)C3)C(=O)C(F)(F)F)c1ccc(cc1)Cl

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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 C20H20ClF3O2 MW 384.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClF3O2/c21-15-3-1-14(2-4-15)17(25)16(18(26)20(22,23)24)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16H,5-10H2
InChIKey
FWWZAPUFXXVPCO-UHFFFAOYSA-N
Synonyms

1(4chlorophenyl)444trifluoro2(tricyclo(3311~37~)dec1yl)butane13dione
2(1ADAMANTYL)1(4CHLOROPHENYL)444TRIFLUORO13BUTANEDIONE
2(1ADAMANTYL)1(4CHLOROPHENYL)444TRIFLUOROBUTANE13DIONE
2ADAMANTAN1YL1(4CHLOROPHENYL)444TRIFLUOROBUTANE13DIONE
C1C2CC3CC1CC(C2)(C3)C(C(=O)C4=CC=C(C=C4)Cl)C(=O)C(F)(F)F
InChI=1SC20H20ClF3O2c21153114(2415)17(25)16(18(26)20(2223)24)19811512(919)713(611)1019h14111316H510H2
MFCD02632285
ZINC000100105025
ZINC000100105029

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Available files

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