Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Catalog ID
STK569844
SMILES COc1cc(ccc1O)C1N(CCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C28H25NO7 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO7/c1-34-22-15-18(7-9-20(22)30)25-24(26(31)19-8-10-21-23(16-19)36-14-13-35-21)27(32)28(33)29(25)12-11-17-5-3-2-4-6-17/h2-10,15-16,25,30-31H,11-14H2,1H3/b26-24+InChIKey
VMCNWWNNKMFFSX-SHHOIMCASA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4hydroxy3methoxyphenyl)1(2phenylethyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4HYDROXY3METHOXYPHENYL)1PHENETHYLPYRROLIDINE23DIONE
COC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCC5=CC=CC=C5)O
COc1cc(ccc1O)C1N(CCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC28H25NO7c134221518(7920(22)30)2524(26(31)198102123(1619)3614133521)27(32)28(33)29(25)1211175324617h2101516253031H1114H21H3b2624+
MFCD05733763
ZINC000102559311
ZINC000102559315
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