Vitas-M small molecule compound

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

Catalog ID
STL147649
SMILES COc1ccccc1C1N(c2sc3c(n2)c(C)cc(c3)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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-15-13-16(2)22-20(14-15)34-27(28-22)29-23(18-11-7-8-12-19(18)33-3)21(25(31)26(29)32)24(30)17-9-5-4-6-10-17/h4-14,23,30H,1-3H3/b24-21+
InChIKey
RFVZXECDESZGRG-DARPEHSRSA-N
Synonyms
514193-50-1
(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(phenyl)methylidene)5(2methoxyphenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY5(2METHOXYPHENYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
514193501
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=CC=C5OC)C
COc1ccccc1C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccccc1)O
InChI=1SC27H22N2O4Sc1151316(2)2220(1415)3427(2822)2923(1811781219(18)333)21(25(31)26(29)32)24(30)1795461017h4142330H13H3b2421+
MFCD03795730
ZINC000102924751
ZINC000102924755

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Available files

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