Vitas-M small molecule compound
tert-butyl 3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Catalog ID
STK081460
SMILES O=C(N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Cl)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 C15H16ClF3N2O3 MW 364.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClF3N2O3/c1-13(2,3)24-12(22)21-14(23,15(17,18)19)8-11(20-21)9-4-6-10(16)7-5-9/h4-7,23H,8H2,1-3H3InChIKey
LUWSNMGRVPNUJZ-UHFFFAOYSA-NSynonyms
CC(C)(C)OC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)(C(F)(F)F)O
InChI=1SC15H16ClF3N2O3c113(23)2412(22)2114(2315(1718)19)811(2021)94610(16)759h4723H8H213H3
MFCD02067878
O=C(N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Cl)OC(C)(C)C
STK081460
TERTBUTYL3(4CHLOROPHENYL)5HYDROXY5(TRIFLUOROMETHYL)2PYRAZOLINECARBOXYLATE
TERTBUTYL3(4CHLOROPHENYL)5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL3(4CHLOROPHENYL)5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
ZINC000004503237
ZINC000004503238
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