Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL044117
SMILES CCOc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCC(C)C)/[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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-7-35-23-15-19(8-11-22(23)31)25-24(27(33)28(34)30(25)13-12-29(5)6)26(32)21-10-9-20(14-18(21)4)36-16-17(2)3/h8-11,14-15,17,25,31-32H,7,12-13,16H2,1-6H3/b26-24+InChIKey
KODBFBSCZIMPLQ-SHHOIMCASA-NSynonyms
497076-41-2(4E)1(2(dimethylamino)ethyl)5(3ethoxy4hydroxyphenyl)4(hydroxy(2methyl4(2methylpropoxy)phenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3ETHOXY4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
497076412
CCOC1=C(C=CC(=C1)C2C(=C(C3=C(C=C(C=C3)OCC(C)C)C)O)C(=O)C(=O)N2CCN(C)C)O
CCOc1cc(ccc1O)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC28H36N2O6c1735231519(81122(23)31)2524(27(33)28(34)30(25)131229(5)6)26(32)2110920(1418(21)4)361617(2)3h811141517253132H7121316H216H3b2624+
MFCD18248353
ZINC000102873649
ZINC000102873654
Check stock
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Check stock on Vitas-MAvailable files
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