Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate

Catalog ID
STL039577
SMILES COC(=O)c1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2C)/[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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-15-7-6-12-29-20(16(2)27-24(15)29)22(31)19-21(17-8-10-18(11-9-17)26(34)35-5)30(14-13-28(3)4)25(33)23(19)32/h6-12,21,31H,13-14H2,1-5H3/b22-19+
InChIKey
GAAMFUFXICQFGQ-ZBJSNUHESA-N
Synonyms
847183-13-5
(E)(1(2(dimethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(28dimethylimidazo(12a)pyridin3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(28DIMETHYLIMIDAZO(12A)PYRIDIN3YL)METHANOLATE
847183135
CC1=CC=CN2C1=NC(=C2C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)C(=O)OC)(O))C
COC(=O)c1ccc(cc1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)nc2n1cccc2C)(O)
InChI=1SC26H28N4O5c11576122920(16(2)2724(15)29)22(31)1921(1781018(11917)26(34)355)30(141328(3)4)25(33)23(19)32h6122131H1314H215H3b2219+
METHYL4((3E)1(2DIMETHYLAMINOETHYL)3((28DIMETHYLIMIDAZO(12A)PYRIDIN3YL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((28DIMETHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD18247854
ZINC000102863698
ZINC000102863699

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Available files

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