Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL046456
SMILES Fc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C29H25FN2O3S MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN2O3S/c1-16-5-14-21-22(15-16)36-28(31-21)32-24(17-6-10-19(11-7-17)29(2,3)4)23(26(34)27(32)35)25(33)18-8-12-20(30)13-9-18/h5-15,24,33H,1-4H3/b25-23+InChIKey
XJVLEWUUKQLWHB-WJTDDFOZSA-NSynonyms
514188-95-5(4E)5(4tertbutylphenyl)4((4fluorophenyl)(hydroxy)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
(4E)5(4TERTBUTYLPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
5(4(TERTBUTYL)PHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)3PYRROLIN2ONE
514188955
CC1=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)C(C)(C)C
Fc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC29H25FN2O3Sc1165142122(1516)3628(3121)3224(1761019(11717)29(23)4)23(26(34)27(32)35)25(33)1881220(30)13918h5152433H14H3b2523+
MFCD03818360
ZINC000102880757
ZINC000102880761
Check stock
See real-time availability and sample size for STL046456 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.