Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148442
SMILES C[NH+](CCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2C)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 C33H38N2O4 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O4/c1-22-20-26(39-21-23-10-8-7-9-11-23)16-17-27(22)30(36)28-29(24-12-14-25(15-13-24)33(2,3)4)35(19-18-34(5)6)32(38)31(28)37/h7-17,20,29,36H,18-19,21H2,1-6H3/b30-28+InChIKey
QVMPHRYIRSRGQF-SJCQXOIGSA-NSynonyms
497249-18-0(4E)5(4TERTBUTYLPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4tertbutylphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
497249180
C(NH+)(CCN1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)C(C)(C)C)(O)
InChI=1SC33H38N2O4c1222026(392123108791123)161727(22)30(36)2829(24121425(151324)33(23)4)35(191834(5)6)32(38)31(28)37h717202936H181921H216H3b3028+
MFCD20755396
ZINC000102927245
ZINC000102927247
Check stock
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Check stock on Vitas-MAvailable files
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