Vitas-M small molecule compound

5-methyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STL443718
SMILES CC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

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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 C16H14F3NO2 MW 309.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3NO2/c1-9-5-6-12-13(7-9)15(22)20(14(12)21)11-4-2-3-10(8-11)16(17,18)19/h2-5,8,12-13H,6-7H2,1H3
InChIKey
GMKLHNRYWLFCTM-UHFFFAOYSA-N
Synonyms

5METHYL2(3(TRIFLUOROMETHYL)PHENYL)233A477AHEXAHYDRO1HISOINDOLE13DIONE
5methyl2(3(trifluoromethyl)phenyl)3a477atetrahydro1Hisoindole13(2H)dione
5METHYL2(3(TRIFLUOROMETHYL)PHENYL)3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC16H14F3NO2c19561213(79)15(22)20(14(12)21)1142310(811)16(1718)19h2581213H67H21H3
MFCD00175034
ZINC000000097631
ZINC000100292232

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.