Vitas-M small molecule compound
3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione
Catalog ID
STK625438
SMILES CCc1ccc(cc1)N1C(=O)CC(C1=O)c1c(C)[nH]n(c1=O)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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-3-14-8-10-15(11-9-14)26-19(28)12-16(21(26)29)20-13(2)25-27(22(20)30)23-24-17-6-4-5-7-18(17)31-23/h4-11,16,25H,3,12H2,1-2H3InChIKey
DTEOAPYOBULKDK-UHFFFAOYSA-NSynonyms
925642-46-23(2(13benzothiazol2yl)5methyl3oxo1Hpyrazol4yl)1(4ethylphenyl)pyrrolidine25dione
3(2(13benzothiazol2yl)5methyl3oxo23dihydro1Hpyrazol4yl)1(4ethylphenyl)pyrrolidine25dione
925642462
CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C
CCc1ccc(cc1)N1C(=O)CC(C1=O)c1c(C)(nH)n(c1=O)c1nc2c(s1)cccc2
InChI=1SC23H20N4O3Sc131481015(11914)2619(28)1216(21(26)29)2013(2)2527(22(20)30)232417645718(17)3123h4111625H312H212H3
MFCD09791786
ZINC000013569690
ZINC000102729779
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