Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL043479
SMILES CC[NH+](CCCN1C(c2ccncc2)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-4-28(5-2)13-6-14-29-23(18-9-11-27-12-10-18)22(25(31)26(29)32)24(30)19-7-8-21-20(16-19)15-17(3)33-21/h7-12,16-17,23,30H,4-6,13-15H2,1-3H3/b24-22+InChIKey
VCQOOMXHHAWUJK-ZNTNEXAZSA-NSynonyms
573941-02-3(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
573941023
CC(NH+)(CCCN1C(c2ccncc2)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=NC=C4
InChI=1SC26H31N3O4c1428(52)136142923(1891127121018)22(25(31)26(29)32)24(30)19782120(1619)1517(3)3321h71216172330H461315H213H3b2422+
MFCD18248223
ZINC000009354374
ZINC000102873124
Check stock
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Check stock on Vitas-MAvailable files
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