Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045523
SMILES CC[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\[O-])/C(=O)C1=O)CC
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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 C29H32N2O4S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4S/c1-4-30(5-2)15-16-31-26(24-12-9-17-36-24)25(28(33)29(31)34)27(32)22-13-14-23(20(3)18-22)35-19-21-10-7-6-8-11-21/h6-14,17-18,26,32H,4-5,15-16,19H2,1-3H3/b27-25+InChIKey
YUWNJVDFDNXSJJ-IMVLJIQESA-NSynonyms
497079-87-5(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
497079875
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C)(O))C(=O)C1=O)C4=CC=CS4
CC(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(=O)C1=O)CC
InChI=1SC29H32N2O4Sc1430(52)15163126(24129173624)25(28(33)29(31)34)27(32)22131423(20(3)1822)351921107681121h61417182632H45151619H213H3b2725+
MFCD18248654
ZINC000102878939
ZINC000102878941
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.