Vitas-M small molecule compound
(E)-{2-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK558918
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CCCn1c[nH+]cc1)/[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 C24H25N3O5 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5/c1-2-14-31-18-8-6-17(7-9-18)22(28)20-21(19-5-3-15-32-19)27(24(30)23(20)29)12-4-11-26-13-10-25-16-26/h3,5-10,13,15-16,21,28H,2,4,11-12,14H2,1H3/b22-20+InChIKey
AQXQAQJJBKCNJW-LSDHQDQOSA-NSynonyms
615277-05-9(4E)5(FURAN2YL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(furan2yl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(2FURYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615277059
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CO4)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccco1)CCCn1c(nH+)cc1)(O)
InChI=1SC24H25N3O5c121431188617(7918)22(28)2021(1953153219)27(24(30)23(20)29)12411261310251626h35101315162128H24111214H21H3b2220+
MFCD18243142
ZINC000102483219
ZINC000102483225
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