Vitas-M small molecule compound
(E)-{2-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK559442
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)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 C23H24N4O6 MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O6/c1-13-16(14(2)25-18(13)23(31)32-3)20(28)17-19(15-6-4-11-33-15)27(22(30)21(17)29)9-5-8-26-10-7-24-12-26/h4,6-7,10-12,19,25,28H,5,8-9H2,1-3H3/b20-17+InChIKey
LNPKHQHPVWKACR-LVZFUZTISA-NSynonyms
(E)(2(furan2yl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CO4)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccco1)CCCn1cc(nH+)c1)(O))C
InChI=1SC23H24N4O6c11316(14(2)2518(13)23(31)323)20(28)1719(1564113315)27(22(30)21(17)29)95826107241226h4671012192528H589H213H3b2017+
METHYL4((2(2FURYL)4HYDROXY1(3IMIDAZOLYLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(FURAN2YL)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243267
ZINC000102487104
ZINC000102487112
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