Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL149328
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1cc[nH+]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 C23H23N3O5 MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5/c1-15-7-8-18(31-15)20-19(21(27)16-5-3-6-17(13-16)30-2)22(28)23(29)26(20)11-4-10-25-12-9-24-14-25/h3,5-9,12-14,20,27H,4,10-11H2,1-2H3/b21-19+InChIKey
FLGRHKODIOTUGV-XUTLUUPISA-NSynonyms
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)4(3METHOXYBENZOYL)5(5METHYL2FURYL)15DIHYDRO2HPYRROL2ONE
CC1=CC=C(O1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1cc(nH+)c1)(O)
InChI=1SC23H23N3O5c1157818(3115)2019(21(27)1653617(1316)302)22(28)23(29)26(20)1141025129241425h35912142027H41011H212H3b2119+
MFCD20755580
ZINC000102928715
ZINC000102928717
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