Vitas-M small molecule compound
(E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK594336
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1cc[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 C26H21FN2O4 MW 444.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O4/c1-15-12-18-13-17(6-7-21(18)33-15)24(30)22-23(19-4-2-3-5-20(19)27)29(26(32)25(22)31)14-16-8-10-28-11-9-16/h2-11,13,15,23,30H,12,14H2,1H3/b24-22+InChIKey
XOFDFZAWUOLBQZ-ZNTNEXAZSA-NSynonyms
897835-86-8(4E)5(2FLUOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)45dioxo1(pyridin1ium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(2fluorophenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
897835868
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC=CC=C5F)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccccc1F)Cc1cc(nH+)cc1)(O)
InChI=1SC26H21FN2O4c11512181317(6721(18)3315)24(30)2223(19423520(19)27)29(26(32)25(22)31)14168102811916h21113152330H1214H21H3b2422+
MFCD07210032
ZINC000102614707
ZINC000102677431
Check stock
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Check stock on Vitas-MAvailable files
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