Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148968
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC[NH+](C)C)/[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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-6-7-14-35-21-11-9-19(15-17(21)2)25(31)23-24(18-8-10-20(30)22(16-18)34-5)29(13-12-28(3)4)27(33)26(23)32/h8-11,15-16,24,30-31H,6-7,12-14H2,1-5H3/b25-23+InChIKey
CBSTZQBNJTVPMB-WJTDDFOZSA-NSynonyms
488747-74-6(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(dimethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488747746
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=C(C=C3)O)OC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC(NH+)(C)C)(O)
InChI=1SC27H34N2O6c16714352111919(1517(21)2)25(31)2324(1881020(30)22(1618)345)29(131228(3)4)27(33)26(23)32h8111516243031H671214H215H3b2523+
MFCD20755513
ZINC000102932531
ZINC000102932536
Check stock
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Check stock on Vitas-MAvailable files
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