Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK560765
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C29H26N2O4S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S/c1-4-14-35-21-12-10-19(11-13-21)25-23(26(32)20-8-6-5-7-9-20)27(33)28(34)31(25)29-30-24-18(3)15-17(2)16-22(24)36-29/h5-13,15-16,25,32H,4,14H2,1-3H3/b26-23+InChIKey
UUYOIECOKLLEID-WNAAXNPUSA-NSynonyms
514193-55-6(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(phenyl)methylidene)5(4propoxyphenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4(PHENYLCARBONYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
514193556
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C
CCCOc1ccc(cc1)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC29H26N2O4Sc14143521121019(111321)2523(26(32)208657920)27(33)28(34)31(25)29302418(3)1517(2)1622(24)3629h51315162532H414H213H3b2623+
MFCD03801825
ZINC000102498747
ZINC000102498755
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