Vitas-M small molecule compound
(4E)-5-(3-bromophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK563287
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Br)/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C1=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 C27H21BrN2O5S MW 565.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O5S/c1-3-35-19-11-12-20-21(14-19)36-27(29-20)30-23(16-5-4-6-17(28)13-16)22(25(32)26(30)33)24(31)15-7-9-18(34-2)10-8-15/h4-14,23,31H,3H2,1-2H3/b24-22+InChIKey
QVKXDOMMTNDNSU-ZNTNEXAZSA-NSynonyms
(4E)5(3bromophenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
5(3BROMOPHENYL)1(6ETHOXYBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC(=CC=C5)Br
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Br)C(=C(c2ccc(cc2)OC)O)C(=O)C1=O
InChI=1SC27H21BrN2O5Sc13351911122021(1419)3627(2920)3023(1654617(28)1316)22(25(32)26(30)33)24(31)157918(342)10815h4142331H3H212H3b2422+
MFCD03810491
ZINC000102519269
ZINC000102519277
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