Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(2-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL038831
SMILES CCOc1ccccc1C1/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-7-35-24-12-9-8-11-22(24)26-25(28(33)29(34)31(26)16-10-15-30(5)6)27(32)21-13-14-23(20(4)17-21)36-18-19(2)3/h8-9,11-14,17,19,26,32H,7,10,15-16,18H2,1-6H3/b27-25+
InChIKey
PNZLZZJDOVMCJM-IMVLJIQESA-N
Synonyms
433307-66-5
(4E)1(3(DIMETHYLAMINO)PROPYL)5(2ETHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(2ethoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
433307665
CCOC1=CC=CC=C1C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)O)C(=O)C(=O)N2CCCN(C)C
CCOc1ccccc1C1C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC29H38N2O5c17352412981122(24)2625(28(33)29(34)31(26)16101530(5)6)27(32)21131423(20(4)1721)361819(2)3h89111417192632H710151618H216H3b2725+
MFCD18247712
ZINC000009008565
ZINC000009072709

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Available files

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