Vitas-M small molecule compound

4-[5-(4-methoxyphenyl)-3-{2-[(methylsulfonyl)amino]phenyl}-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

Catalog ID
STL010349
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CCC(=O)O)c1ccccc1NS(=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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c1-30-15-9-7-14(8-10-15)19-13-18(22-24(19)20(25)11-12-21(26)27)16-5-3-4-6-17(16)23-31(2,28)29/h3-10,19,23H,11-13H2,1-2H3,(H,26,27)
InChIKey
UJURJIFMAHYYPL-UHFFFAOYSA-N
Synonyms
921159-13-9
4(5(2(methanesulfonamido)phenyl)3(4methoxyphenyl)34dihydropyrazol2yl)4oxobutanoicacid
4(5(4METHOXYPHENYL)3(2((METHYLSULFONYL)AMINO)PHENYL)(2PYRAZOLINYL))4OXOBUTANOICACID
4(5(4methoxyphenyl)3(2((methylsulfonyl)amino)phenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(4methoxyphenyl)3(2(methylsulfonamido)phenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
921159139
COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CC=C3NS(=O)(=O)C
InChI=1SC21H23N3O6Sc130159714(81015)191318(2224(19)20(25)111221(26)27)16534617(16)2331(228)29h3101923H1113H212H3(H2627)
MFCD08542104
ZINC000009060538
ZINC000009060539

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Available files

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