Vitas-M small molecule compound
(4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL040897
SMILES COc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-14-4-7-19-23(10-14)38-29(30-19)31-25(16-5-8-20(32)22(13-16)36-3)24(27(34)28(31)35)26(33)17-6-9-21-18(12-17)11-15(2)37-21/h4-10,12-13,15,25,32-33H,11H2,1-3H3/b26-24+InChIKey
JFNDIMOFRWZJEN-SHHOIMCASA-NSynonyms
850186-35-5(4E)5(4hydroxy3methoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
850186355
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=C(C=C6)O)OC)O
COc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC29H24N2O6Sc114471923(1014)3829(3019)3125(165820(32)22(1316)363)24(27(34)28(31)35)26(33)17692118(1217)1115(2)3721h410121315253233H11H213H3b2624+
MFCD05738734
ZINC000102866847
ZINC000102866852
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