Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL150592
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)/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 C25H16FN3O5S MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN3O5S/c1-13-2-4-15(5-3-13)22(30)20-21(14-6-9-17(10-7-14)29(33)34)28(24(32)23(20)31)25-27-18-11-8-16(26)12-19(18)35-25/h2-12,21,30H,1H3/b22-20+InChIKey
NJTMGDXJKBKZGX-LSDHQDQOSA-NSynonyms
514190-12-6(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(4methylphenyl)methylidene)5(4nitrophenyl)pyrrolidine23dione
1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY4((4METHYLPHENYL)CARBONYL)5(4NITROPHENYL)3PYRROLIN2ONE
514190126
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC=C(C=C5)(N+)(=O)(O))O
Cc1ccc(cc1)C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)O
InChI=1SC25H16FN3O5Sc1132415(5313)22(30)2021(146917(10714)29(33)34)28(24(32)23(20)31)25271811816(26)1219(18)3525h2122130H1H3b2220+
MFCD03817702
ZINC000102932372
ZINC000102932374
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