Vitas-M small molecule compound

3-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

Catalog ID
STK396412
SMILES CC1=NN(C(=O)C1)c1ccc(cc1C)S(=O)(=O)O

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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 C11H12N2O4S MW 268.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2O4S/c1-7-5-9(18(15,16)17)3-4-10(7)13-11(14)6-8(2)12-13/h3-5H,6H2,1-2H3,(H,15,16,17)
InChIKey
AJPUJTAMBSRTEG-UHFFFAOYSA-N
Synonyms
118-07-0
1(2METHYL4SULFOPHENYL)3METHYL1HPYRAZOL5(4H)ONE
118070
3METHYL4(3METHYL5OXO(2PYRAZOLINYL))BENZENESULFONICACID
3METHYL4(3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZENESULFONICACID
3METHYL4(3METHYL5OXO45DIHYDROPYRAZOL1YL)BENZENESULFONICACID
3METHYL4(3METHYL5OXO4HPYRAZOL1YL)BENZENESULFONICACID
6(45DIHYDRO3METHYL5OXO1HPYRAZOL1YL)TOLUENE3SULPHONICACID
BENZENESULFONICACID4(45DIHYDRO3METHYL5OXO1HPYRAZOL1YL)3METHYL
CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)C
InChI=1SC11H12N2O4Sc1759(18(1516)17)3410(7)1311(14)68(2)1213h35H6H212H3(H151617)
MFCD00044051
ZINC000019228622
ZINC19228622

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Available files

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