Vitas-M small molecule compound

(4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK561921
SMILES Fc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)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 C28H23FN2O3S MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN2O3S/c1-15(2)17-5-7-18(8-6-17)24-23(25(32)19-9-11-20(29)12-10-19)26(33)27(34)31(24)28-30-21-13-4-16(3)14-22(21)35-28/h4-15,24,32H,1-3H3/b25-23+
InChIKey
LREIKPQMWGBXQI-WJTDDFOZSA-N
Synonyms
514188-94-4
(4E)4((4fluorophenyl)(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
514188944
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
Fc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC28H23FN2O3Sc115(2)175718(8617)2423(25(32)1991120(29)121019)26(33)27(34)31(24)28302113416(3)1422(21)3528h4152432H13H3b2523+
MFCD03799741
ZINC000102508155
ZINC000102508163

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.