Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK562096
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[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/c1-5-8-17-37-23-14-11-21(18-19(23)4)26(32)24-25(20-9-12-22(13-10-20)31(35)36)30(28(34)27(24)33)16-15-29(6-2)7-3/h9-14,18,25,32H,5-8,15-17H2,1-4H3/b26-24+InChIKey
RMQYZFKVDHCYOO-SHHOIMCASA-NSynonyms
488727-32-8(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488727328
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC=C(C=C3)(N+)(=O)(O))(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CC(NH+)(CC)CC)(O)
InChI=1SC28H35N3O6c158173723141121(1819(23)4)26(32)2425(2091222(131020)31(35)36)30(28(34)27(24)33)161529(62)73h914182532H581517H214H3b2624+
MFCD18243964
ZINC000102509615
ZINC000102509625
Check stock
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Check stock on Vitas-MAvailable files
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