Vitas-M small molecule compound
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Catalog ID
STK582915
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1noc(c1)C
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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 C23H19BrN2O6 MW 499.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O6/c1-11-4-6-13(7-5-11)20(27)18-19(14-9-15(24)21(28)16(10-14)31-3)26(23(30)22(18)29)17-8-12(2)32-25-17/h4-10,19,27-28H,1-3H3/b20-18+InChIKey
DCJQGVCUCXDARS-CZIZESTLSA-NSynonyms
(4E)5(3bromo4hydroxy5methoxyphenyl)4(hydroxy(4methylphenyl)methylidene)1(5methyl12oxazol3yl)pyrrolidine23dione
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC(=C(C(=C4)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1c1noc(c1)C
InChI=1SC23H19BrN2O6c1114613(7511)20(27)1819(14915(24)21(28)16(1014)313)26(23(30)22(18)29)17812(2)322517h410192728H13H3b2018+
MFCD07209622
ZINC000102594519
ZINC000102594525
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