Vitas-M small molecule compound

(E)-(2-methylimidazo[1,2-a]pyridin-3-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK560893
SMILES O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccc(c1)[N+](=O)[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 C26H27N5O6 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O6/c1-17-22(29-10-3-2-8-20(29)27-17)24(32)21-23(18-6-4-7-19(16-18)31(35)36)30(26(34)25(21)33)11-5-9-28-12-14-37-15-13-28/h2-4,6-8,10,16,23,32H,5,9,11-15H2,1H3/b24-21+
InChIKey
AAHFQEFVAXVDAV-DARPEHSRSA-N
Synonyms
630062-50-9
(4E)4(HYDROXY(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(2methylimidazo(12a)pyridin3yl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(2METHYLIMIDAZO(12A)PYRIDIN3YL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((2METHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)3PYRROLIN2ONE
630062509
CC1=C(N2C=CC=CC2=N1)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC(=CC=C5)(N+)(=O)(O))O
InChI=1SC26H27N5O6c11722(291032820(29)2717)24(32)2123(1864719(1618)31(35)36)30(26(34)25(21)33)115928121437151328h246810162332H591115H21H3b2421+
MFCD18243657
O=C1C(=O)C(=C(c2c(C)nc3n2cccc3)(O))C(N1CCC(NH+)1CCOCC1)c1cccc(c1)(N+)(=O)(O)
ZINC000102499747
ZINC000102499757

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Available files

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