Vitas-M small molecule compound

ethyl 4-(4-hydroxy-3,5-dimethylphenyl)-1,2-dimethyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK770542
SMILES CCOC(=O)C1=C(C)N(C(=O)C1(c1cc(C)c(c(c1)C)O)C(F)(F)F)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 C18H20F3NO4 MW 371.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F3NO4/c1-6-26-15(24)13-11(4)22(5)16(25)17(13,18(19,20)21)12-7-9(2)14(23)10(3)8-12/h7-8,23H,6H2,1-5H3
InChIKey
KJAXXORXZHYIBW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C(=O)C1(C2=CC(=C(C(=C2)C)O)C)C(F)(F)F)C)C
ETHYL4(4HYDROXY35DIMETHYLPHENYL)12DIMETHYL5OXO4(TRIFLUOROMETHYL)2PYRROLINE3CARBOXYLATE
ethyl4(4hydroxy35dimethylphenyl)12dimethyl5oxo4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
ETHYL4(4HYDROXY35DIMETHYLPHENYL)12DIMETHYL5OXO4(TRIFLUOROMETHYL)PYRROLE3CARBOXYLATE
InChI=1SC18H20F3NO4c162615(24)1311(4)22(5)16(25)17(1318(1920)21)1279(2)14(23)10(3)812h7823H6H215H3
MFCD03766290
ZINC000002503923
ZINC000002503924

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Available files

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