Vitas-M small molecule compound

methyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK081927
SMILES COC(=O)N1N=C(CC1(O)C(F)(F)F)c1ccccc1

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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 C12H11F3N2O3 MW 288.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11F3N2O3/c1-20-10(18)17-11(19,12(13,14)15)7-9(16-17)8-5-3-2-4-6-8/h2-6,19H,7H2,1H3
InChIKey
KBLBPNMXNOXIFH-UHFFFAOYSA-N
Synonyms

3PHENYL5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLICACIDMETHYLESTER
5HYDROXY3PHENYL5TRIFLUOROMETHYL45DIHYDROPYRAZOLE1CARBOXYLICACIDMETHYLESTER
COC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(F)(F)F)O
COC(=O)N1N=C(CC1(O)C(F)(F)F)c1ccccc1
InChI=1SC12H11F3N2O3c12010(18)1711(1912(1314)15)79(1617)8532468h2619H7H21H3
METHYL5HYDROXY3PHENYL5(TRIFLUOROMETHYL)2PYRAZOLINECARBOXYLATE
METHYL5HYDROXY3PHENYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
METHYL5HYDROXY3PHENYL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
MFCD03716718
STK081927
ZINC000000248817
ZINC000000248819

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Available files

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