Vitas-M small molecule compound

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

Catalog ID
STK564461
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=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 C26H18Cl2N2O4S MW 525.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Cl2N2O4S/c1-2-34-18-11-12-19-20(13-18)35-26(29-19)30-22(14-3-7-16(27)8-4-14)21(24(32)25(30)33)23(31)15-5-9-17(28)10-6-15/h3-13,22,31H,2H2,1H3/b23-21+
InChIKey
OKOYKFXVOSPSIW-XTQSDGFTSA-N
Synonyms
514193-04-5
(4E)5(4chlorophenyl)4((4chlorophenyl)(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
(4E)5(4CHLOROPHENYL)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
5(4CHLOROPHENYL)4((4CHLOROPHENYL)CARBONYL)1(6ETHOXYBENZOTHIAZOL2YL)3HYDROXY3PYRROLIN2ONE
514193045
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)Cl
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
InChI=1SC26H18Cl2N2O4Sc12341811121920(1318)3526(2919)3022(143716(27)8414)21(24(32)25(30)33)23(31)155917(28)10615h3132231H2H21H3b2321+
MFCD03808812
ZINC000102528007
ZINC000102528015

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Available files

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