Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL046692
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/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 C26H19N3O6S MW 501.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O6S/c1-2-35-18-12-13-19-20(14-18)36-26(27-19)28-22(15-8-10-17(11-9-15)29(33)34)21(24(31)25(28)32)23(30)16-6-4-3-5-7-16/h3-14,22,30H,2H2,1H3/b23-21+InChIKey
GBYVGOLEMFYEOZ-XTQSDGFTSA-NSynonyms
514192-58-6(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(phenyl)methylidene)5(4nitrophenyl)pyrrolidine23dione
1(6ETHOXYBENZOTHIAZOL2YL)3HYDROXY5(4NITROPHENYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
514192586
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)(N+)(=O)(O)
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccccc2)O)C(=O)C1=O
InChI=1SC26H19N3O6Sc12351812131920(1418)3626(2719)2822(1581017(11915)29(33)34)21(24(31)25(28)32)23(30)166435716h3142230H2H21H3b2321+
MFCD03793652
ZINC000102881362
ZINC000102881366
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