Vitas-M small molecule compound
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Catalog ID
STL149541
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCc1ccccc1
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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 C29H26BrNO6 MW 564.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrNO6/c1-16-12-19-13-18(8-9-22(19)37-16)26(32)24-25(20-14-21(30)27(33)23(15-20)36-2)31(29(35)28(24)34)11-10-17-6-4-3-5-7-17/h3-9,13-16,25,32-33H,10-12H2,1-2H3/b26-24+InChIKey
FRPLFMHWVWRSEH-SHHOIMCASA-NSynonyms
(4E)5(3bromo4hydroxy5methoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2phenylethyl)pyrrolidine23dione
(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1PHENETHYLPYRROLIDINE23DIONE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CC(=C(C(=C5)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCc1ccccc1
InChI=1SC29H26BrNO6c11612191318(8922(19)3716)26(32)2425(201421(30)27(33)23(1520)362)31(29(35)28(24)34)1110176435717h391316253233H1012H212H3b2624+
MFCD04077756
ZINC000102929276
ZINC000102929283
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