Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(dimethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565051
SMILES CCOc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-5-38-26-18-22(11-13-24(26)34)28-27(30(36)31(37)33(28)16-15-32(3)4)29(35)23-12-14-25(20(2)17-23)39-19-21-9-7-6-8-10-21/h6-14,17-18,28,34-35H,5,15-16,19H2,1-4H3/b29-27+InChIKey
YUNMIZLYAHYEPY-ORIPQNMZSA-NSynonyms
497245-17-7(4E)1(2(dimethylamino)ethyl)5(3ethoxy4hydroxyphenyl)4(hydroxy(3methyl4phenylmethoxyphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3ETHOXY4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(dimethylammonio)ethyl)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin3ylidene)methanolate
497245177
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCN(C)C)O
CCOc1cc(ccc1O)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC31H34N2O6c1538261822(111324(26)34)2827(30(36)31(37)33(28)161532(3)4)29(35)23121425(20(2)1723)39192197681021h6141718283435H5151619H214H3b2927+
MFCD18244677
ZINC000009312277
ZINC000102532285
Check stock
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Check stock on Vitas-MAvailable files
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