Vitas-M small molecule compound

1-(4-acetylphenyl)-3-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]pyrrolidine-2,5-dione

Catalog ID
STK260220
SMILES O=C1CC(C(=O)N1c1ccc(cc1)C(=O)C)c1c(C)nn(c1O)c1nc2c(s1)cccc2

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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 C23H18N4O4S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S/c1-12-20(22(31)27(25-12)23-24-17-5-3-4-6-18(17)32-23)16-11-19(29)26(21(16)30)15-9-7-14(8-10-15)13(2)28/h3-10,16,31H,11H2,1-2H3
InChIKey
OAJJODLOIRSKKQ-UHFFFAOYSA-N
Synonyms

1(4acetylphenyl)3(1(13benzothiazol2yl)5hydroxy3methyl1Hpyrazol4yl)pyrrolidine25dione
MFCD08132259
ZINC000100134594
ZINC000100134597

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Available files

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