Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STL044029
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1ccccc1F)CC

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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 C26H29FN2O4 MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN2O4/c1-4-28(5-2)12-13-29-23(19-8-6-7-9-20(19)27)22(25(31)26(29)32)24(30)17-10-11-21-18(15-17)14-16(3)33-21/h6-11,15-16,23,30H,4-5,12-14H2,1-3H3/b24-22+
InChIKey
WSLFXTRVFDCZBU-ZNTNEXAZSA-N
Synonyms

(4E)1(2(diethylamino)ethyl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)5(2FLUOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)(O))C1c1ccccc1F)CC
CCN(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=CC=C4F
InChI=1SC26H29FN2O4c1428(52)12132923(19867920(19)27)22(25(31)26(29)32)24(30)1710112118(1517)1416(3)3321h61115162330H451214H213H3b2422+
MFCD18248336
ZINC000102873978
ZINC000102873986

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Available files

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