Vitas-M small molecule compound

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

Catalog ID
STK380582
SMILES O=C1CC(=NN1c1cc(ccc1C)S(=O)(=O)O)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 C11H12N2O4S MW 268.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2O4S/c1-7-3-4-9(18(15,16)17)6-10(7)13-11(14)5-8(2)12-13/h3-4,6H,5H2,1-2H3,(H,15,16,17)
InChIKey
APXZUKPCHGKOTB-UHFFFAOYSA-N
Synonyms
5466-86-4
1(2METHYL5SULFOPHENYL)3METHYL1HPYRAZOL5(4H)ONE
4METHYL3(3METHYL5OXO(2PYRAZOLINYL))BENZENESULFONICACID
4methyl3(3methyl5oxo45dihydro1Hpyrazol1yl)benzenesulfonicacid
4METHYL3(3METHYL5OXO4HPYRAZOL1YL)BENZENESULFONICACID
5466864
BENZENESULFONICACID3(45DIHYDRO3METHYL5OXO1HPYRAZOL1YL)4METHYL
CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)C
InChI=1SC11H12N2O4Sc17349(18(1516)17)610(7)1311(14)58(2)1213h346H5H212H3(H151617)
MFCD02105289
ZINC000004514911
ZINC4514911

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Available files

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