Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK589944
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-16-13-19-14-18(3-4-20(19)33-16)23(30)21-22(17-5-7-26-8-6-17)29(25(32)24(21)31)11-2-10-28-12-9-27-15-28/h3-9,12,14-16,22,30H,2,10-11,13H2,1H3/b23-21+InChIKey
MEZILQQFCOEEBK-XTQSDGFTSA-NSynonyms
897835-80-2(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
897835802
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=NC=C5)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCCn1c(nH+)cc1)(O)
InChI=1SC25H24N4O4c11613191418(3420(19)3316)23(30)2122(1757268617)29(25(32)24(21)31)1121028129271528h391214162230H2101113H21H3b2321+
MFCD07203395
ZINC000102606009
ZINC000102674481
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