Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-[4-(dimethylamino)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL043462
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1ccc(cc1)N(C)C)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 C28H35N3O4 MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O4/c1-6-30(7-2)14-15-31-25(19-8-11-22(12-9-19)29(4)5)24(27(33)28(31)34)26(32)20-10-13-23-21(17-20)16-18(3)35-23/h8-13,17-18,25,32H,6-7,14-16H2,1-5H3/b26-24+InChIKey
YKAHKPWCEQQGJL-SHHOIMCASA-NSynonyms
4897-83-0(4E)1(2DIETHYLAMINOETHYL)5(4DIMETHYLAMINOPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4(dimethylamino)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(diethylazaniumyl)ethyl)2(4(dimethylamino)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4DIMETHYLAMINOPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
4897830
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC=C(C=C4)N(C)C
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)(O))C1c1ccc(cc1)N(C)C)CC
InChI=1SC28H35N3O4c1630(72)14153125(1981122(12919)29(4)5)24(27(33)28(31)34)26(32)2010132321(1720)1618(3)3523h81317182532H671416H215H3b2624+
MFCD18248220
ZINC000009313305
ZINC000009313308
Check stock
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