Vitas-M small molecule compound
(E)-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl){2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560440
SMILES COC(=O)c1ccc(cc1)C1N(CC[NH+]2CCOCC2)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 C28H30N4O6 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O6/c1-17-5-4-10-31-22(18(2)29-26(17)31)24(33)21-23(19-6-8-20(9-7-19)28(36)37-3)32(27(35)25(21)34)12-11-30-13-15-38-16-14-30/h4-10,23,33H,11-16H2,1-3H3/b24-21+InChIKey
WRULVEVRYPAUAB-DARPEHSRSA-NSynonyms
845992-02-1(E)(28dimethylimidazo(12a)pyridin3yl)(2(4(methoxycarbonyl)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(28DIMETHYLIMIDAZO(12A)PYRIDIN3YL)(2(4METHOXYCARBONYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
845992021
CC1=CC=CN2C1=NC(=C2C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=C(C=C5)C(=O)OC)(O))C
COC(=O)c1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)nc2n1cccc2C)(O)
InChI=1SC28H30N4O6c11754103122(18(2)2926(17)31)24(33)2123(196820(9719)28(36)373)32(27(35)25(21)34)121130131538161430h4102333H1116H213H3b2421+
METHYL4((3E)3((28DIMETHYLIMIDAZO(12A)PYRIDIN3YL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((28DIMETHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD18243537
ZINC000102495963
ZINC000102495970
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