Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL150481
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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/c1-17-15-18(6-7-20(17)32-2)23(29)21-22(19-5-3-8-26-16-19)28(25(31)24(21)30)10-4-9-27-11-13-33-14-12-27/h3,5-8,15-16,22,29H,4,9-14H2,1-2H3/b23-21+InChIKey
IHQRQMYAVUSLGP-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CN=CC=C4)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H29N3O5c1171518(6720(17)322)23(29)2122(19538261619)28(25(31)24(21)30)104927111333141227h35815162229H4914H212H3b2321+
MFCD20755839
ZINC000102931635
ZINC000102931638
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