Vitas-M small molecule compound
(E)-(4-butoxyphenyl){2-(3,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL053745
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC[NH+](C)C)/[O-]
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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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-6-7-16-35-20-11-8-18(9-12-20)25(30)23-24(19-10-13-21(33-4)22(17-19)34-5)29(15-14-28(2)3)27(32)26(23)31/h8-13,17,24,30H,6-7,14-16H2,1-5H3/b25-23+InChIKey
MWGVPGJFCQLZGJ-WJTDDFOZSA-NSynonyms
844446-91-9(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(4butoxyphenyl)(2(34dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(2(34DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
844446919
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=C(C=C3)OC)OC)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC(NH+)(C)C)(O)
InChI=1SC27H34N2O6c16716352011818(91220)25(30)2324(19101321(334)22(1719)345)29(151428(2)3)27(32)26(23)31h813172430H671416H215H3b2523+
MFCD18249560
ZINC000102891834
ZINC000102891839
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.