Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL057473
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCCC
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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 C25H27NO7 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO7/c1-3-10-31-18-6-4-5-16(14-18)22-21(24(28)25(29)26(22)9-11-30-2)23(27)17-7-8-19-20(15-17)33-13-12-32-19/h4-8,14-15,22,27H,3,9-13H2,1-2H3/b23-21+InChIKey
SJXFXWSBHPHEQM-XTQSDGFTSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2methoxyethyl)5(3propoxyphenyl)pyrrolidine23dione
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCOC
COCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCCC
InChI=1SC25H27NO7c1310311864516(1418)2221(24(28)25(29)26(22)911302)23(27)17781920(1517)3313123219h4814152227H3913H212H3b2321+
MFCD05730676
ZINC000102897155
ZINC000102897157
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