Vitas-M small molecule compound
tert-butyl 5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Catalog ID
STK013178
SMILES COc1ccc(cc1)C1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(C)(C)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 C16H19F3N2O4 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19F3N2O4/c1-14(2,3)25-13(22)21-15(23,16(17,18)19)9-12(20-21)10-5-7-11(24-4)8-6-10/h5-8,23H,9H2,1-4H3InChIKey
JYXVZYXCBXFLSM-UHFFFAOYSA-NSynonyms
CC(C)(C)OC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)(C(F)(F)F)O
COc1ccc(cc1)C1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(C)(C)C
InChI=1SC16H19F3N2O4c114(23)2513(22)2115(2316(1718)19)912(2021)105711(244)8610h5823H9H214H3
MFCD02214620
STK013178
TERTBUTYL5HYDROXY3(4METHOXYPHENYL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL5HYDROXY3(4METHOXYPHENYL)5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
ZINC000004551651
ZINC000004551652
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