Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL046474
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[NH+]1CCOCC1)/[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 C25H29N3O5 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O5/c1-17-16-19(4-5-20(17)32-2)23(29)21-22(18-6-8-26-9-7-18)28(25(31)24(21)30)11-3-10-27-12-14-33-15-13-27/h4-9,16,22,29H,3,10-15H2,1-2H3/b23-21+InChIKey
JODBGTVJFKZPRR-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4METHOXY3METHYLBENZOYL)1(3(4MORPHOLINYL)PROPYL)5(4PYRIDINYL)15DIHYDRO2HPYRROL2ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=NC=C4)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H29N3O5c1171619(4520(17)322)23(29)2122(1868269718)28(25(31)24(21)30)1131027121433151327h49162229H31015H212H3b2321+
MFCD18248855
ZINC000102880123
ZINC000102880125
Check stock
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Check stock on Vitas-MAvailable files
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