Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL149294
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C29H36N2O5 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O5/c1-5-15-35-23-10-8-9-20(18-23)26-25(28(33)29(34)31(26)14-13-30(6-2)7-3)27(32)21-11-12-24-22(17-21)16-19(4)36-24/h8-12,17-19,26,32H,5-7,13-16H2,1-4H3/b27-25+InChIKey
WQXIIEHMTMRNHW-IMVLJIQESA-NSynonyms
840510-90-9(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
840510909
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC29H36N2O5c15153523108920(1823)2625(28(33)29(34)31(26)141330(62)73)27(32)2111122422(1721)1619(4)3624h81217192632H571316H214H3b2725+
MFCD20755573
ZINC000102928566
ZINC000102928575
Check stock
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Check stock on Vitas-MAvailable files
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