Vitas-M small molecule compound
methyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Catalog ID
STK087097
SMILES COC(=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 C12H10BrF3N2O3 MW 367.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10BrF3N2O3/c1-21-10(19)18-11(20,12(14,15)16)6-9(17-18)7-2-4-8(13)5-3-7/h2-5,20H,6H2,1H3InChIKey
SBMBDOMQBVOUEZ-UHFFFAOYSA-NSynonyms
3(4BROMOPHENYL)5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLICACIDMETHYLESTER
COC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O
COC(=O)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Br
InChI=1SC12H10BrF3N2O3c12110(19)1811(2012(1415)16)69(1718)7248(13)537h2520H6H21H3
METHYL3(4BROMOPHENYL)5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
METHYL3(4BROMOPHENYL)5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
MFCD03715931
STK087097
ZINC000004673071
ZINC000004673072
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