Vitas-M small molecule compound
(E)-{2-[4-(methoxycarbonyl)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Catalog ID
STL044490
SMILES COC(=O)c1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2)/[O-]
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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 C28H30N4O6 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O6/c1-18-23(31-12-4-3-6-21(31)29-18)25(33)22-24(19-7-9-20(10-8-19)28(36)37-2)32(27(35)26(22)34)13-5-11-30-14-16-38-17-15-30/h3-4,6-10,12,24,33H,5,11,13-17H2,1-2H3/b25-22+InChIKey
GNFNRUNLILKCRG-YYDJUVGSSA-NSynonyms
630063-10-4(E)(2(4(methoxycarbonyl)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methylimidazo(12a)pyridin3yl)methanolate
(E)(2(4METHOXYCARBONYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHANOLATE
630063104
CC1=C(N2C=CC=CC2=N1)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)nc2n1cccc2)(O)
InChI=1SC28H30N4O6c11823(311243621(31)2918)25(33)2224(197920(10819)28(36)372)32(27(35)26(22)34)1351130141638171530h34610122433H5111317H212H3b2522+
METHYL4((3E)3(HYDROXY(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(4HYDROXY3((2METHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)1(3MORPHOLIN4YLPROPYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD18248424
ZINC000102876046
ZINC000102876048
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