Vitas-M small molecule compound

tert-butyl 5-(4-fluorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK008643
SMILES O=C(N1N=C(CC1(O)c1ccc(cc1)F)C)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 C15H19FN2O3 MW 294.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19FN2O3/c1-10-9-15(20,11-5-7-12(16)8-6-11)18(17-10)13(19)21-14(2,3)4/h5-8,20H,9H2,1-4H3
InChIKey
XNLIHMOMSHEMBL-UHFFFAOYSA-N
Synonyms

CC1=NN(C(C1)(C2=CC=C(C=C2)F)O)C(=O)OC(C)(C)C
InChI=1SC15H19FN2O3c110915(20115712(16)8611)18(1710)13(19)2114(23)4h5820H9H214H3
MFCD03033399
O=C(N1N=C(CC1(O)c1ccc(cc1)F)C)OC(C)(C)C
STK008643
TERTBUTYL5(4FLUOROPHENYL)5HYDROXY3METHYL2PYRAZOLINECARBOXYLATE
TERTBUTYL5(4FLUOROPHENYL)5HYDROXY3METHYL45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL5(4FLUOROPHENYL)5HYDROXY3METHYL4HPYRAZOLE1CARBOXYLATE
ZINC000004550864
ZINC000004550865

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Available files

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