Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Catalog ID
STL050618
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCc1ccccc1
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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 C33H35NO7 MW 557.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO7/c1-3-5-17-39-25-13-11-23(20-27(25)38-4-2)30-29(31(35)24-12-14-26-28(21-24)41-19-18-40-26)32(36)33(37)34(30)16-15-22-9-7-6-8-10-22/h6-14,20-21,30,35H,3-5,15-19H2,1-2H3/b31-29+InChIKey
QCOCDOUOUUDENN-OWWNRXNESA-NSynonyms
(4E)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2phenylethyl)pyrrolidine23dione
(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1PHENETHYLPYRROLIDINE23DIONE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCC5=CC=CC=C5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCc1ccccc1
InChI=1SC33H35NO7c135173925131123(2027(25)3842)3029(31(35)2412142628(2124)4119184026)32(36)33(37)34(30)16152297681022h61420213035H351519H212H3b3129+
MFCD05726020
ZINC000102886797
ZINC000102886800
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