Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK564601
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[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/c1-35-17-8-5-13(6-9-17)22(30)20-21(14-3-2-4-16(11-14)29(33)34)28(24(32)23(20)31)25-27-18-10-7-15(26)12-19(18)36-25/h2-12,21,30H,1H3/b22-20+InChIKey
HJEVSUSFWYTCGX-LSDHQDQOSA-NSynonyms
514190-95-5(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(3nitrophenyl)pyrrolidine23dione
1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
514190955
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=CC=C5)(N+)(=O)(O))O
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nc2c(s1)cc(cc2)F)O
InChI=1SC25H16FN3O6Sc135178513(6917)22(30)2021(1432416(1114)29(33)34)28(24(32)23(20)31)25271810715(26)1219(18)3625h2122130H1H3b2220+
MFCD03809075
ZINC000102528921
ZINC000102528928
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