Vitas-M small molecule compound

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

Catalog ID
STL038900
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccccc2)\[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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-5-32-19-13-12-18(16-20(19)31-4)22-21(23(28)17-10-7-6-8-11-17)24(29)25(30)27(22)15-9-14-26(2)3/h6-8,10-13,16,22,28H,5,9,14-15H2,1-4H3/b23-21+
InChIKey
JWDCDDDKMPALTF-XTQSDGFTSA-N
Synonyms
638134-21-1
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY4(PHENYLCARBONYL)3PYRROLIN2ONE
4BENZOYL1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY15DIHYDRO2HPYRROL2ONE
638134211
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=CC=C3)(O))C(=O)C(=O)N2CCC(NH+)(C)C)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC25H30N2O5c153219131218(1620(19)314)2221(23(28)17107681117)24(29)25(30)27(22)1591426(2)3h681013162228H591415H214H3b2321+
MFCD18247726
ZINC000102862489
ZINC000102862492

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Available files

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