Vitas-M small molecule compound
(E)-{2-(3-butoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL044204
SMILES CCCCOc1cccc(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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-5-8-16-36-24-11-9-10-21(19-24)27-26(29(34)30(35)32(27)15-14-31(6-2)7-3)28(33)22-12-13-25-23(18-22)17-20(4)37-25/h9-13,18-20,27,33H,5-8,14-17H2,1-4H3/b28-26+InChIKey
PWWDXOKKJHDOQK-BYCLXTJYSA-NSynonyms
844463-64-5(4E)5(3BUTOXYPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3butoxyphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3BUTOXYPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
844463645
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC30H38N2O5c1581636241191021(1924)2726(29(34)30(35)32(27)151431(62)73)28(33)2212132523(1822)1720(4)3725h91318202733H581417H214H3b2826+
MFCD18248370
ZINC000009312414
ZINC000009313122
Check stock
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Check stock on Vitas-MAvailable files
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