Vitas-M small molecule compound
(E)-(4-fluorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044506
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C24H22FN3O4 MW 435.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN3O4/c1-32-19-9-5-16(6-10-19)21-20(22(29)17-3-7-18(25)8-4-17)23(30)24(31)28(21)13-2-12-27-14-11-26-15-27/h3-11,14-15,21,29H,2,12-13H2,1H3/b22-20+InChIKey
MKAXZLCOWTZCBZ-LSDHQDQOSA-NSynonyms
(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1ccc(cc1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC24H22FN3O4c132199516(61019)2120(22(29)173718(25)8417)23(30)24(31)28(21)13212271411261527h31114152129H21213H21H3b2220+
MFCD18248430
ZINC000102875493
ZINC000102875496
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