Vitas-M small molecule compound
(4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Catalog ID
STL040882
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccco1
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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 C28H27NO8 MW 505.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO8/c1-3-33-20-9-7-17(14-22(20)34-4-2)25-24(27(31)28(32)29(25)16-19-6-5-11-35-19)26(30)18-8-10-21-23(15-18)37-13-12-36-21/h5-11,14-15,25,30H,3-4,12-13,16H2,1-2H3/b26-24+InChIKey
XCPQNZSXFQXGDZ-SHHOIMCASA-NSynonyms
620566-08-7(4E)5(34diethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(furan2ylmethyl)pyrrolidine23dione
620566087
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CO5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC28H27NO8c1333209717(1422(20)3442)2524(27(31)28(32)29(25)161965113519)26(30)188102123(1518)3713123621h51114152530H34121316H212H3b2624+
MFCD05730290
ZINC000102867248
ZINC000102867251
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