Vitas-M small molecule compound
(E)-{2-(furan-2-yl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK565349
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CC[NH+]1CCOCC1)/[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 C23H27N3O7 MW 457.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O7/c1-13-16(14(2)24-18(13)23(30)31-3)20(27)17-19(15-5-4-10-33-15)26(22(29)21(17)28)7-6-25-8-11-32-12-9-25/h4-5,10,19,24,27H,6-9,11-12H2,1-3H3/b20-17+InChIKey
CPLOMOZNPIFHAC-LVZFUZTISA-NSynonyms
840517-75-1(E)(2(furan2yl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(FURAN2YL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
4(2FURAN2YL4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO25DIHYDRO1HPYRROLE3CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLICACIDMETHYLESTER
840517751
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=CO4)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccco1)CC(NH+)1CCOCC1)(O))C
InChI=1SC23H27N3O7c11316(14(2)2418(13)23(30)313)20(27)1719(1554103315)26(22(29)21(17)28)76258113212925h4510192427H691112H213H3b2017+
METHYL4((E)(2(FURAN2YL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244756
ZINC000102534359
ZINC000102534364
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