Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL053501
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCOC
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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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-3-4-5-14-34-21-9-6-8-19(17-21)25-24(27(31)28(32)29(25)12-7-13-33-2)26(30)20-10-11-22-23(18-20)36-16-15-35-22/h6,8-11,17-18,25,30H,3-5,7,12-16H2,1-2H3/b26-24+InChIKey
WJKBVKRUQIQBFD-SHHOIMCASA-NSynonyms
620559-14-0(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3methoxypropyl)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3METHOXYPROPYL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
620559140
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCOC
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCCOC
InChI=1SC28H33NO7c134514342196819(1721)2524(27(31)28(32)29(25)12713332)26(30)2010112223(1820)3616153522h681117182530H3571216H212H3b2624+
MFCD05731229
ZINC000102891510
ZINC000102891512
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