Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Catalog ID
STL051270
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCOC
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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 C28H33NO8 MW 511.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO8/c1-4-6-12-35-20-9-7-18(16-22(20)34-5-2)25-24(27(31)28(32)29(25)11-13-33-3)26(30)19-8-10-21-23(17-19)37-15-14-36-21/h7-10,16-17,25,30H,4-6,11-15H2,1-3H3/b26-24+InChIKey
OEGZKXCQMBXKEL-SHHOIMCASA-NSynonyms
577694-59-8(4E)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2methoxyethyl)pyrrolidine23dione
577694598
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCOC)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCOC
InChI=1SC28H33NO8c1461235209718(1622(20)3452)2524(27(31)28(32)29(25)1113333)26(30)198102123(1719)3715143621h71016172530H461115H213H3b2624+
MFCD05737451
ZINC000102888165
ZINC000102888166
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