Vitas-M small molecule compound

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

Catalog ID
STK558995
SMILES Clc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccccc1)/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 C25H17ClN2O3S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN2O3S/c1-14-7-12-18-19(13-14)32-25(27-18)28-21(15-8-10-17(26)11-9-15)20(23(30)24(28)31)22(29)16-5-3-2-4-6-16/h2-13,21,29H,1H3/b22-20+
InChIKey
LYASMHBMVBBCCT-LSDHQDQOSA-N
Synonyms
514188-51-3
(4E)5(4chlorophenyl)4(hydroxy(phenyl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
5(4CHLOROPHENYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)4(PHENYLCARBONYL)3PYRROLIN2ONE
514188513
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccccc1)O
InChI=1SC25H17ClN2O3Sc1147121819(1314)3225(2718)2821(1581017(26)11915)20(23(30)24(28)31)22(29)165324616h2132129H1H3b2220+
MFCD03797467
ZINC000102483787
ZINC000102483791

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Available files

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