Vitas-M small molecule compound

8-cyclohexylidene-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK550984
SMILES O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C1C=CC2C1=C1CCCCC1

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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 C22H20F3NO2 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3NO2/c23-22(24,25)13-7-4-8-14(11-13)26-20(27)18-15-9-10-16(19(18)21(26)28)17(15)12-5-2-1-3-6-12/h4,7-11,15-16,18-19H,1-3,5-6H2
InChIKey
XCDXKNDGAJAXEA-UHFFFAOYSA-N
Synonyms
1009039-12-6
(3aR4R7S7aS)8cyclohexylidene2(3(trifluoromethyl)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
1009039126
8cyclohexylidene2(3(trifluoromethyl)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F)CC1
InChI=1SC22H20F3NO2c2322(2425)1374814(1113)2620(27)181591016(19(18)21(26)28)17(15)125213612h471115161819H1356H2
MFCD01187919
ZINC000168092333
ZINC000239433014

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Available files

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