Vitas-M small molecule compound
(4E)-5-(4-bromophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK561211
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)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 C25H16BrFN2O4S MW 539.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrFN2O4S/c1-33-17-9-4-14(5-10-17)22(30)20-21(13-2-6-15(26)7-3-13)29(24(32)23(20)31)25-28-18-11-8-16(27)12-19(18)34-25/h2-12,21,30H,1H3/b22-20+InChIKey
FGSYWPMYLMFQSO-LSDHQDQOSA-NSynonyms
514190-94-4(4E)5(4bromophenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
5(4BROMOPHENYL)1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
514190944
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)Br)O
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)c1nc2c(s1)cc(cc2)F)O
InChI=1SC25H16BrFN2O4Sc133179414(51017)22(30)2021(132615(26)7313)29(24(32)23(20)31)25281811816(27)1219(18)3425h2122130H1H3b2220+
MFCD03801632
ZINC000102502252
ZINC000102502260
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