Vitas-M small molecule compound
(E)-{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK558772
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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 C26H24FN3O4 MW 461.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4/c1-16-13-19-14-18(5-8-21(19)34-16)24(31)22-23(17-3-6-20(27)7-4-17)30(26(33)25(22)32)11-2-10-29-12-9-28-15-29/h3-9,12,14-16,23,31H,2,10-11,13H2,1H3/b24-22+InChIKey
PYBVDEXVMMROFT-ZNTNEXAZSA-NSynonyms
(4E)5(4FLUOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)F)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCCn1c(nH+)cc1)(O)
InChI=1SC26H24FN3O4c11613191418(5821(19)3416)24(31)2223(173620(27)7417)30(26(33)25(22)32)1121029129281529h391214162331H2101113H21H3b2422+
MFCD18243109
ZINC000102482144
ZINC000102640271
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