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}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL040670
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-15-4-6-20(32-15)22-21(23(29)17-5-7-19-18(13-17)12-16(2)33-19)24(30)25(31)28(22)10-3-9-27-11-8-26-14-27/h4-8,11,13-14,16,22,29H,3,9-10,12H2,1-2H3/b23-21+InChIKey
BKKPXRRSEIDRME-XTQSDGFTSA-NSynonyms
850235-09-5(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
850235095
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(O5)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c(nH+)cc1)(O)
InChI=1SC25H25N3O5c1154620(3215)2221(23(29)17571918(1317)1216(2)3319)24(30)25(31)28(22)103927118261427h48111314162229H391012H212H3b2321+
MFCD18248048
ZINC000102771196
ZINC000102771200
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