Vitas-M small molecule compound
(4E)-5-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL047435
SMILES COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)F)/O
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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 C27H21FN2O6S MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O6S/c1-34-17-9-10-18-21(13-17)37-27(29-18)30-23(15-6-11-19(35-2)20(12-15)36-3)22(25(32)26(30)33)24(31)14-4-7-16(28)8-5-14/h4-13,23,31H,1-3H3/b24-22+InChIKey
QPUGTNJIYCUKMK-ZNTNEXAZSA-NSynonyms
514186-95-9(4E)5(34dimethoxyphenyl)4((4fluorophenyl)(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
(4E)5(34DIMETHOXYPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
5(34DIMETHOXYPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(6METHOXYBENZOTHIAZOL2YL)3PYRROLIN2ONE
514186959
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC(=C(C=C5)OC)OC
COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=O)C1=C(c1ccc(cc1)F)O
InChI=1SC27H21FN2O6Sc134179101821(1317)3727(2918)3023(1561119(352)20(1215)363)22(25(32)26(30)33)24(31)144716(28)8514h4132331H13H3b2422+
MFCD03812610
ZINC000102882907
ZINC000102882908
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.