Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK559934
SMILES COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)C)\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/c1-14-6-8-15(9-7-14)23(30)21-22(16-4-3-5-17(12-16)29(33)34)28(25(32)24(21)31)26-27-19-11-10-18(35-2)13-20(19)36-26/h3-13,22,30H,1-2H3/b23-21+InChIKey
OEZVIKDNAAWGOC-XTQSDGFTSA-NSynonyms
514186-73-3(4E)4(hydroxy(4methylphenyl)methylidene)1(6methoxy13benzothiazol2yl)5(3nitrophenyl)pyrrolidine23dione
3HYDROXY1(6METHOXYBENZOTHIAZOL2YL)4((4METHYLPHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
514186733
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OC)C5=CC(=CC=C5)(N+)(=O)(O))O
COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)C)O)C(=O)C1=O
InChI=1SC26H19N3O6Sc1146815(9714)23(30)2122(1643517(1216)29(33)34)28(25(32)24(21)31)262719111018(352)1320(19)3626h3132230H12H3b2321+
MFCD03794910
ZINC000102491587
ZINC000102491592
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