Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046624
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[NH+](CC)CC)/[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 C28H35N3O6 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O6/c1-5-8-16-37-23-13-12-21(17-19(23)4)26(32)24-25(20-10-9-11-22(18-20)31(35)36)30(28(34)27(24)33)15-14-29(6-2)7-3/h9-13,17-18,25,32H,5-8,14-16H2,1-4H3/b26-24+InChIKey
YQNLXDZMQXDEHV-SHHOIMCASA-NSynonyms
488745-04-6(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488745046
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC(=CC=C3)(N+)(=O)(O))(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)(CC)CC)(O)
InChI=1SC28H35N3O6c158163723131221(1719(23)4)26(32)2425(201091122(1820)31(35)36)30(28(34)27(24)33)151429(62)73h91317182532H581416H214H3b2624+
MFCD18248889
ZINC000102881063
ZINC000102881066
Check stock
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Check stock on Vitas-MAvailable files
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