Vitas-M small molecule compound

5,5-dimethyl-2-({[2-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-1,3-dione

Catalog ID
STK751851
SMILES O=C1CC(C)(C)CC(=O)C1=CNc1ccccc1C(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 C16H16F3NO2 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3NO2/c1-15(2)7-13(21)10(14(22)8-15)9-20-12-6-4-3-5-11(12)16(17,18)19/h3-6,9,20H,7-8H2,1-2H3
InChIKey
XNDTVYMJPLLZRY-UHFFFAOYSA-N
Synonyms

55dimethyl2(((2(trifluoromethyl)phenyl)amino)methylidene)cyclohexane13dione
55DIMETHYL2((2(TRIFLUOROMETHYL)ANILINO)METHYLIDENE)CYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNC2=CC=CC=C2C(F)(F)F)C(=O)C1)C
InChI=1SC16H16F3NO2c115(2)713(21)10(14(22)815)92012643511(12)16(1718)19h36920H78H212H3
MFCD00300021
ZINC000000060589
ZINC00060589
ZINC60589

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Available files

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