Vitas-M small molecule compound

tert-butyl 5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK096712
SMILES O=C(N1N=C(CC1(O)c1ccccc1)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 C15H20N2O3 MW 276.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O3/c1-11-10-15(19,12-8-6-5-7-9-12)17(16-11)13(18)20-14(2,3)4/h5-9,19H,10H2,1-4H3
InChIKey
DRDBPZPKGCHAEB-UHFFFAOYSA-N
Synonyms

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)OC(C)(C)C
InChI=1SC15H20N2O3c1111015(19128657912)17(1611)13(18)2014(23)4h5919H10H214H3
MFCD02575389
O=C(N1N=C(CC1(O)c1ccccc1)C)OC(C)(C)C
STK096712
TERTBUTYL5HYDROXY3METHYL5PHENYL2PYRAZOLINECARBOXYLATE
TERTBUTYL5HYDROXY3METHYL5PHENYL45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL5HYDROXY3METHYL5PHENYL4HPYRAZOLE1CARBOXYLATE
ZINC000004676694
ZINC000004676695

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Available files

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