Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL045504
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nc2c(s1)cc(cc2)C)/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/c1-14-3-12-19-20(13-14)36-26(27-19)28-22(15-4-8-17(9-5-15)29(33)34)21(24(31)25(28)32)23(30)16-6-10-18(35-2)11-7-16/h3-13,22,30H,1-2H3/b23-21+InChIKey
XEMXVXVXJSKQCP-XTQSDGFTSA-NSynonyms
514189-42-5(4E)4(hydroxy(4methoxyphenyl)methylidene)1(6methyl13benzothiazol2yl)5(4nitrophenyl)pyrrolidine23dione
3HYDROXY4((4METHOXYPHENYL)CARBONYL)1(6METHYLBENZOTHIAZOL2YL)5(4NITROPHENYL)3PYRROLIN2ONE
514189425
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nc2c(s1)cc(cc2)C)O
InChI=1SC26H19N3O6Sc1143121920(1314)3626(2719)2822(154817(9515)29(33)34)21(24(31)25(28)32)23(30)1661018(352)11716h3132230H12H3b2321+
MFCD03810266
ZINC000102878171
ZINC000102878175
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