Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL038583
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C27H20F2N2O6S MW 538.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F2N2O6S/c1-35-18-10-14(11-19(36-2)25(18)37-3)22-21(23(32)13-4-6-15(28)7-5-13)24(33)26(34)31(22)27-30-17-9-8-16(29)12-20(17)38-27/h4-12,22,32H,1-3H3/b23-21+InChIKey
HIXFWJHGZHTPQD-XTQSDGFTSA-NSynonyms
514190-63-7(4E)1(6fluoro13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(345trimethoxyphenyl)pyrrolidine23dione
(4E)1(6FLUORO13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
1(6FLUOROBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
514190637
COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)F
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc(cc2)F)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC27H20F2N2O6Sc135181014(1119(362)25(18)373)2221(23(32)134615(28)7513)24(33)26(34)31(22)2730179816(29)1220(17)3827h4122232H13H3b2321+
MFCD03807391
ZINC000102860732
ZINC000102860738
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.