Vitas-M small molecule compound

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

Catalog ID
STK625020
SMILES CCc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C)/C(=C(/c2ccccc2)\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 C27H22N2O3S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O3S/c1-3-17-11-14-20-21(15-17)33-27(28-20)29-23(18-12-9-16(2)10-13-18)22(25(31)26(29)32)24(30)19-7-5-4-6-8-19/h4-15,23,30H,3H2,1-2H3/b24-22+
InChIKey
LIATUZKSIFHMTM-ZNTNEXAZSA-N
Synonyms
618418-59-0
(4E)1(6ethyl13benzothiazol2yl)4(hydroxy(phenyl)methylidene)5(4methylphenyl)pyrrolidine23dione
1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(4METHYLPHENYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
618418590
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)C
CCc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C)C(=C(c2ccccc2)O)C(=O)C1=O
InChI=1SC27H22N2O3Sc131711142021(1517)3327(2820)2923(1812916(2)101318)22(25(31)26(29)32)24(30)197546819h4152330H3H212H3b2422+
MFCD09795857
ZINC000102726782
ZINC000102726784

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Available files

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