Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-propoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Catalog ID
STL052289
SMILES COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OCC)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 C28H33NO8 MW 511.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO8/c1-4-12-35-20-9-7-18(16-22(20)34-5-2)25-24(27(31)28(32)29(25)11-6-13-33-3)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
JUDOXRBGRSNAFH-SHHOIMCASA-NSynonyms
577767-77-2(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4propoxyphenyl)1(3methoxypropyl)pyrrolidine23dione
577767772
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCOC)OCC
COCCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(c(c1)OCC)OCCC
InChI=1SC28H33NO8c141235209718(1622(20)3452)2524(27(31)28(32)29(25)11613333)26(30)198102123(1719)3715143621h71016172530H461115H213H3b2624+
MFCD05726090
ZINC000102889587
ZINC000102889590
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