Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STL148072
SMILES CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C
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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 C26H23FN2O4 MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O4/c1-16(2)33-21-11-7-18(8-12-21)23-22(24(30)19-5-9-20(27)10-6-19)25(31)26(32)29(23)15-17-4-3-13-28-14-17/h3-14,16,23,30H,15H2,1-2H3/b24-22+InChIKey
FTXDFROJDUZKRH-ZNTNEXAZSA-NSynonyms
845664-83-7(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yloxy)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(45DIOXO2(4PROPAN2YLOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHOXY)PHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
845664837
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CC(Oc1ccc(cc1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1)C
InChI=1SC26H23FN2O4c116(2)332111718(81221)2322(24(30)195920(27)10619)25(31)26(32)29(23)15174313281417h314162330H15H212H3b2422+
MFCD20755322
ZINC000102374238
ZINC000102374241
Check stock
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Check stock on Vitas-MAvailable files
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