Vitas-M small molecule compound

(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Catalog ID
STK565706
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nc2c(s1)cc(cc2)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 C25H16FN3O6S MW 505.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN3O6S/c1-35-17-9-4-14(5-10-17)22(30)20-21(13-2-7-16(8-3-13)29(33)34)28(24(32)23(20)31)25-27-18-11-6-15(26)12-19(18)36-25/h2-12,21,30H,1H3/b22-20+
InChIKey
GENQBZICDMCHGJ-LSDHQDQOSA-N
Synonyms
514190-96-6
(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(4nitrophenyl)pyrrolidine23dione
1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(4NITROPHENYL)3PYRROLIN2ONE
514190966
COC1=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
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nc2c(s1)cc(cc2)F)O
InChI=1SC25H16FN3O6Sc135179414(51017)22(30)2021(132716(8313)29(33)34)28(24(32)23(20)31)25271811615(26)1219(18)3625h2122130H1H3b2220+
MFCD03815248
ZINC000102536874
ZINC000102536883

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Available files

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