Vitas-M small molecule compound

(E)-{2-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STL045493
SMILES O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccco1

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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 C21H19N3O4 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4/c25-19(15-6-2-1-3-7-15)17-18(16-8-4-13-28-16)24(21(27)20(17)26)11-5-10-23-12-9-22-14-23/h1-4,6-9,12-14,18,25H,5,10-11H2/b19-17+
InChIKey
BDMBZAHGGWKHPV-HTXNQAPBSA-N
Synonyms
380890-63-1
(4E)5(FURAN2YL)4(HYDROXY(PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(furan2yl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
380890631
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CO4)O
InChI=1SC21H19N3O4c2519(156213715)1718(1684132816)24(21(27)20(17)26)1151023129221423h146912141825H51011H2b1917+
MFCD18248649
O=C1C(=O)C(=C(c2ccccc2)(O))C(N1CCCn1c(nH+)cc1)c1ccco1
ZINC000102877745
ZINC000102877749

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Available files

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