Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

Catalog ID
STL054045
SMILES COCCN1C(c2ccc(o2)C)/C(=C(/c2ccc3c(c2)OCCO3)\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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-12-3-5-15(29-12)18-17(20(24)21(25)22(18)7-8-26-2)19(23)13-4-6-14-16(11-13)28-10-9-27-14/h3-6,11,18,23H,7-10H2,1-2H3/b19-17+
InChIKey
VDZVFWJJGQCBDF-HTXNQAPBSA-N
Synonyms
620558-31-8
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2methoxyethyl)5(5methylfuran2yl)pyrrolidine23dione
620558318
CC1=CC=C(O1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCOC
COCCN1C(c2ccc(o2)C)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC21H21NO7c1123515(2912)1817(20(24)21(25)22(18)78262)19(23)13461416(1113)281092714h36111823H710H212H3b1917+
MFCD05735329
ZINC000102892632
ZINC000102892634

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Available files

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