Vitas-M small molecule compound

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

Catalog ID
STK050472
SMILES COC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)Cc1ccccc1

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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 C17H22N2O4 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4/c1-16(2,3)17(22)11-13(15(21)23-4)18-19(17)14(20)10-12-8-6-5-7-9-12/h5-9,22H,10-11H2,1-4H3
InChIKey
GKTDOJFRIRFZRO-UHFFFAOYSA-N
Synonyms
331850-21-6
331850216
CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=CC=C2)C(=O)OC)O
COC(=O)C1=NN(C(C1)(O)C(C)(C)C)C(=O)Cc1ccccc1
InChI=1SC17H22N2O4c116(23)17(22)1113(15(21)234)1819(17)14(20)10128657912h5922H1011H214H3
methyl5(tertbutyl)5hydroxy1(2phenylacetyl)45dihydro1Hpyrazole3carboxylate
METHYL5TERTBUTYL5HYDROXY1(2PHENYLACETYL)4HPYRAZOLE3CARBOXYLATE
METHYL5TERTBUTYL5HYDROXY1(PHENYLACETYL)45DIHYDRO1HPYRAZOLE3CARBOXYLATE
MFCD01054994
STK050472
ZINC000000301895
ZINC000000301897

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Available files

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