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-methoxyphenyl)pyrrolidine-2,5-dione
Catalog ID
STK626854
SMILES COc1ccc(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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-12-19(21(29)26(24-12)22-23-16-5-3-4-6-17(16)31-22)15-11-18(27)25(20(15)28)13-7-9-14(30-2)10-8-13/h3-10,15,24H,11H2,1-2H3InChIKey
NUKUXNPYFKXAAF-UHFFFAOYSA-NSynonyms
925026-44-43(1BENZOTHIAZOL2YL5HYDROXY3METHYLPYRAZOL4YL)1(4METHOXYPHENYL)AZOLIDINE25DIONE
3(2(13benzothiazol2yl)5methyl3oxo1Hpyrazol4yl)1(4methoxyphenyl)pyrrolidine25dione
3(2(13benzothiazol2yl)5methyl3oxo23dihydro1Hpyrazol4yl)1(4methoxyphenyl)pyrrolidine25dione
925026444
CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4CC(=O)N(C4=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1C(=O)CC(C1=O)c1c(C)(nH)n(c1=O)c1nc2c(s1)cccc2
InChI=1SC22H18N4O4Sc11219(21(29)26(2412)222316534617(16)3122)151118(27)25(20(15)28)137914(302)10813h3101524H11H212H3
MFCD09791062
ZINC000018085229
ZINC000018155350
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