Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-2-yl]benzoate
Catalog ID
STL041373
SMILES COC(=O)c1ccc(cc1)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 C29H25NO7 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO7/c1-35-29(34)20-9-7-19(8-10-20)25-24(26(31)21-11-12-22-23(17-21)37-16-15-36-22)27(32)28(33)30(25)14-13-18-5-3-2-4-6-18/h2-12,17,25,31H,13-16H2,1H3/b26-24+InChIKey
QGFSAFNOPSEDQI-SHHOIMCASA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCC5=CC=CC=C5
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCc1ccccc1
InChI=1SC29H25NO7c13529(34)209719(81020)2524(26(31)2111122223(1721)3716153622)27(32)28(33)30(25)1413185324618h212172531H1316H21H3b2624+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo1(2phenylethyl)pyrrolidin2yl)benzoate
METHYL4((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)45DIOXO1PHENETHYLPYRROLIDIN2YL)BENZOATE
MFCD05730459
ZINC000102868307
ZINC000102868310
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