Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{2-(3,4-dichlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564551
SMILES C[NH+](CCN1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\[O-])/C(=O)C1=O)C
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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 C29H28Cl2N2O4 MW 539.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28Cl2N2O4/c1-18-15-21(10-12-24(18)37-17-19-7-5-4-6-8-19)27(34)25-26(20-9-11-22(30)23(31)16-20)33(14-13-32(2)3)29(36)28(25)35/h4-12,15-16,26,34H,13-14,17H2,1-3H3/b27-25+InChIKey
OHZGZKHENBCQTL-IMVLJIQESA-NSynonyms
488726-70-1(4E)5(34DICHLOROPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34DICHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(34dichlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
488726701
C(NH+)(CCN1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=C(C=C3)Cl)Cl)(O))OCC4=CC=CC=C4
InChI=1SC29H28Cl2N2O4c1181521(101224(18)3717197546819)27(34)2526(2091122(30)23(31)1620)33(141332(2)3)29(36)28(25)35h41215162634H131417H213H3b2725+
MFCD18244564
ZINC000102528624
ZINC000102528632
Check stock
See real-time availability and sample size for STK564551 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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