Vitas-M small molecule compound

(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione

Catalog ID
STK563627
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C

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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 C25H21ClN2O4S MW 480.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4S/c1-4-13-32-19-11-7-16(8-12-19)21-20(22(29)17-5-9-18(26)10-6-17)23(30)24(31)28(21)25-27-14(2)15(3)33-25/h4-12,21,29H,1,13H2,2-3H3/b22-20+
InChIKey
JIZHNTMMUCMAQR-LSDHQDQOSA-N
Synonyms
578744-20-4
(4E)4((4chlorophenyl)(hydroxy)methylidene)1(45dimethyl13thiazol2yl)5(4(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(45DIMETHYL13THIAZOL2YL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
1(45DIMETHYL(13THIAZOL2YL))4((4CHLOROPHENYL)CARBONYL)3HYDROXY5(4PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
578744204
C=CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)O)C(=O)C(=O)N1c1sc(c(n1)C)C
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)OCC=C)C
InChI=1SC25H21ClN2O4Sc1413321911716(81219)2120(22(29)175918(26)10617)23(30)24(31)28(21)252714(2)15(3)3325h4122129H113H223H3b2220+
MFCD03806763
ZINC000101293933
ZINC000101293936

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Available files

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