Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150214
SMILES CCc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[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 C32H36N2O4 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O4/c1-5-23-12-14-25(15-13-23)29-28(31(36)32(37)34(29)19-9-18-33(3)4)30(35)27-17-16-26(20-22(27)2)38-21-24-10-7-6-8-11-24/h6-8,10-17,20,29,35H,5,9,18-19,21H2,1-4H3/b30-28+InChIKey
WCTYNZAERYWKGW-SJCQXOIGSA-NSynonyms
489402-71-3(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHYLPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(3(dimethylammonio)propyl)2(4ethylphenyl)45dioxopyrrolidin3ylidene)methanolate
489402713
CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCCN(C)C
CCc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
InChI=1SC32H36N2O4c1523121425(151323)2928(31(36)32(37)34(29)1991833(3)4)30(35)27171626(2022(27)2)382124107681124h681017202935H59181921H214H3b3028+
MFCD20755768
ZINC000102931107
ZINC000102931110
Check stock
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Check stock on Vitas-MAvailable files
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