Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL043628
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc[nH+]c1)/[O-])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 C26H27FN4O5 MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-8-5-6-9-18(17)27)31(25(34)24(20)33)12-7-11-30-13-10-28-14-30/h5-6,8-10,13-14,22,29,32H,4,7,11-12H2,1-3H3/b23-20+InChIKey
KOGVPGZODLVKAU-BSYVCWPDSA-NSynonyms
845631-60-9(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(2fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
845631609
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4F)O)C
ETHYL4((2(2FLUOROPHENYL)4HYDROXY1(3IMIDAZOLYLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(2(2FLUOROPHENYL)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H27FN4O5c143626(35)2115(2)19(16(3)2921)23(32)2022(17856918(17)27)31(25(34)24(20)33)12711301310281430h568101314222932H471112H213H3b2320+
MFCD18248248
ZINC000102872605
ZINC000102872608
Check stock
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