Vitas-M small molecule compound

(E)-(3-chloro-4-ethoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK563746
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCC[NH+](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 C23H27ClN2O5 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN2O5/c1-5-30-17-10-8-15(13-16(17)24)21(27)19-20(18-9-7-14(2)31-18)26(23(29)22(19)28)12-6-11-25(3)4/h7-10,13,20,27H,5-6,11-12H2,1-4H3/b21-19+
InChIKey
GHAUOJSZMQXZSX-XUTLUUPISA-N
Synonyms
615275-85-9
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(dimethylammonio)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(5METHYL(2FURYL))3PYRROLIN2ONE
4(3CHLORO4ETHOXYBENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(5METHYL2FURYL)15DIHYDRO2HPYRROL2ONE
615275859
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(O3)C)(O))Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCC(NH+)(C)C)(O)
InChI=1SC23H27ClN2O5c15301710815(1316(17)24)21(27)1920(189714(2)3118)26(23(29)22(19)28)1261125(3)4h710132027H561112H214H3b2119+
MFCD18244380
ZINC000102523113
ZINC000102523122

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Available files

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