Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149563
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCC[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 C26H33N3O7 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O7/c1-5-35-26(33)21-16(3)19(17(4)27-21)23(30)20-22(18-8-7-15(2)36-18)29(25(32)24(20)31)10-6-9-28-11-13-34-14-12-28/h7-8,22,27,30H,5-6,9-14H2,1-4H3/b23-20+InChIKey
LDVJCJNPYDBVRO-BSYVCWPDSA-NSynonyms
877790-87-9(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(5methylfuran2yl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(5METHYLFURAN2YL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
877790879
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCC(NH+)1CCOCC1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(O4)C)O)C
ETHYL4((4HYDROXY2(5METHYL2FURYL)1(3(4MORPHOLINYL)PROPYL)5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((E)HYDROXY(2(5METHYLFURAN2YL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H33N3O7c153526(33)2116(3)19(17(4)2721)23(30)2022(188715(2)3618)29(25(32)24(20)31)106928111334141228h78222730H56914H214H3b2320+
MFCD20755628
ZINC000102929994
ZINC000102929997
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