Vitas-M small molecule compound

methyl 4-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-2-yl}benzoate

Catalog ID
STK602690
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCN(C)C

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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 C25H26N2O7 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O7/c1-26(2)10-11-27-21(15-4-6-16(7-5-15)25(31)32-3)20(23(29)24(27)30)22(28)17-8-9-18-19(14-17)34-13-12-33-18/h4-9,14,21,28H,10-13H2,1-3H3/b22-20+
InChIKey
VUECJBMJNZXFTI-LSDHQDQOSA-N
Synonyms
618404-56-1
618404561
CN(C)CCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1CCN(C)C
InChI=1SC25H26N2O7c126(2)10112721(154616(7515)25(31)323)20(23(29)24(27)30)22(28)17891819(1417)3413123318h49142128H1013H213H3b2220+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2(dimethylamino)ethyl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD08736772
ZINC000102694368
ZINC000102694375

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.