Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(3,4-dichlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK566128
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)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 C26H30Cl2N2O4 MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30Cl2N2O4/c1-5-6-13-34-21-10-8-18(14-16(21)2)24(31)22-23(17-7-9-19(27)20(28)15-17)30(12-11-29(3)4)26(33)25(22)32/h7-10,14-15,23,31H,5-6,11-13H2,1-4H3/b24-22+InChIKey
VFUPRKIEELZDHI-ZNTNEXAZSA-NSynonyms
489423-99-6(4E)4((4butoxy3methylphenyl)hydroxymethylidene)5(34dichlorophenyl)1(2(dimethylamino)ethyl)pyrrolidine23dione
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DICHLOROPHENYL)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(34dichlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(34DICHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
489423996
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)Cl)Cl)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CC(NH+)(C)C)(O)
InChI=1SC26H30Cl2N2O4c15613342110818(1416(21)2)24(31)2223(177919(27)20(28)1517)30(121129(3)4)26(33)25(22)32h71014152331H561113H214H3b2422+
MFCD18244956
ZINC000102539883
ZINC000102539890
Check stock
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Check stock on Vitas-MAvailable files
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