Vitas-M small molecule compound

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

Catalog ID
STK606276
SMILES CCc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C)/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 C27H21ClN2O3S MW 488.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O3S/c1-3-16-6-13-20-21(14-16)34-27(29-20)30-23(17-7-4-15(2)5-8-17)22(25(32)26(30)33)24(31)18-9-11-19(28)12-10-18/h4-14,23,31H,3H2,1-2H3/b24-22+
InChIKey
KNJHTAUEFIECJX-ZNTNEXAZSA-N
Synonyms
618424-00-3
(4E)4((4chlorophenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)5(4methylphenyl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
4((4CHLOROPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(4METHYLPHENYL)3PYRROLIN2ONE
618424003
CCC1=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)C
CCc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C)C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
InChI=1SC27H21ClN2O3Sc13166132021(1416)3427(2920)3023(177415(2)5817)22(25(32)26(30)33)24(31)1891119(28)121018h4142331H3H212H3b2422+
MFCD08735498
ZINC000102700638
ZINC000102700645

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Available files

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