Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046311
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])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 C29H35N3O7 MW 537.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O7/c1-3-4-15-39-24-10-9-22(18-20(24)2)27(33)25-26(21-7-5-8-23(19-21)32(36)37)31(29(35)28(25)34)12-6-11-30-13-16-38-17-14-30/h5,7-10,18-19,26,33H,3-4,6,11-17H2,1-2H3/b27-25+InChIKey
JLTSMUIEEKKRMN-IMVLJIQESA-NSynonyms
496798-89-1(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
496798891
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O)
InChI=1SC29H35N3O7c13415392410922(1820(24)2)27(33)2526(2175823(1921)32(36)37)31(29(35)28(25)34)1261130131638171430h571018192633H3461117H212H3b2725+
MFCD18248823
ZINC000102879060
ZINC000102879062
Check stock
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Check stock on Vitas-MAvailable files
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