Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STL045741
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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 C27H33FN2O4 MW 468.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FN2O4/c1-4-17-34-22-10-7-9-20(18-22)24-23(25(31)19-11-13-21(28)14-12-19)26(32)27(33)30(24)16-8-15-29(5-2)6-3/h7,9-14,18,24,31H,4-6,8,15-17H2,1-3H3/b25-23+InChIKey
RLDVTXOPGXXUKH-WJTDDFOZSA-NSynonyms
620143-14-8(4E)1(3(DIETHYLAMINO)PROPYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
620143148
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCCN(CC)CC
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC27H33FN2O4c14173422107920(1822)2423(25(31)19111321(28)141219)26(32)27(33)30(24)1681529(52)63h7914182431H4681517H213H3b2523+
MFCD18248700
ZINC000009271407
ZINC000009271408
Check stock
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Check stock on Vitas-MAvailable files
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