Vitas-M small molecule compound
ethyl 4-{(3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoate
Catalog ID
STK571945
SMILES CCOC(=O)c1ccc(cc1)N1C(c2ccc(c(c2)OC)OC)/C(=C(/c2ccccc2)\O)/C(=O)C1=O
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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 C28H25NO7 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO7/c1-4-36-28(33)18-10-13-20(14-11-18)29-24(19-12-15-21(34-2)22(16-19)35-3)23(26(31)27(29)32)25(30)17-8-6-5-7-9-17/h5-16,24,30H,4H2,1-3H3/b25-23+InChIKey
UVBQMHGQUKRLQR-WJTDDFOZSA-NSynonyms
499211-88-0499211880
CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC(=C(C=C4)OC)OC
CCOC(=O)c1ccc(cc1)N1C(c2ccc(c(c2)OC)OC)C(=C(c2ccccc2)O)C(=O)C1=O
ethyl4((3E)2(34dimethoxyphenyl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin1yl)benzoate
InChI=1SC28H25NO7c143628(33)18101320(141118)2924(19121521(342)22(1619)353)23(26(31)27(29)32)25(30)178657917h5162430H4H213H3b2523+
MFCD07210073
ZINC000102567690
ZINC000102567697
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