Vitas-M small molecule compound

1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Catalog ID
STK031114
SMILES Cc1cc(C)c(c(c1)C)OCC(=O)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Br

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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 C21H20BrF3N2O3 MW 485.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrF3N2O3/c1-12-8-13(2)19(14(3)9-12)30-11-18(28)27-20(29,21(23,24)25)10-17(26-27)15-4-6-16(22)7-5-15/h4-9,29H,10-11H2,1-3H3
InChIKey
BINKHQCMTPYSFA-UHFFFAOYSA-N
Synonyms

1(3(4BROMOPHENYL)5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)2(246TRIMETHYLPHENOXY)ETHANONE
1(3(4BROMOPHENYL)5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(246TRIMETHYLPHENOXY)ETHANONE
CC1=CC(=C(C(=C1)C)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(F)(F)F)O)C
Cc1cc(C)c(c(c1)C)OCC(=O)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Br
InChI=1SC21H20BrF3N2O3c112813(2)19(14(3)912)301118(28)2720(2921(2324)25)1017(2627)154616(22)7515h4929H1011H213H3
MFCD02912309
STK031114
ZINC000013940865
ZINC000013940866

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Available files

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