Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL043938
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C26H34N2O4S MW 470.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4S/c1-5-8-15-32-20-12-11-19(17-18(20)4)24(29)22-23(21-10-9-16-33-21)28(26(31)25(22)30)14-13-27(6-2)7-3/h9-12,16-17,23,29H,5-8,13-15H2,1-4H3/b24-22+InChIKey
BJRRYFKMQWMHHA-ZNTNEXAZSA-NSynonyms
616213-19-5(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
616213195
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC=CS3)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(CC)CC)(O)
InChI=1SC26H34N2O4Sc158153220121119(1718(20)4)24(29)2223(21109163321)28(26(31)25(22)30)141327(62)73h91216172329H581315H214H3b2422+
MFCD18248317
ZINC000102873955
ZINC000102873957
Check stock
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Check stock on Vitas-MAvailable files
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