Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL148457
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC[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 C30H32N2O5 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5/c1-20-18-22(14-15-25(20)36-4)28(33)26-27(32(30(35)29(26)34)17-9-16-31(2)3)21-10-8-13-24(19-21)37-23-11-6-5-7-12-23/h5-8,10-15,18-19,27,33H,9,16-17H2,1-4H3/b28-26+InChIKey
SAKSRYGNRWYQOQ-BYCLXTJYSA-NSynonyms
487038-90-4(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
487038904
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC(NH+)(C)C)(O)
InChI=1SC30H32N2O5c1201822(141525(20)364)28(33)2627(32(30(35)29(26)34)1791631(2)3)211081324(1921)3723116571223h58101518192733H91617H214H3b2826+
MFCD20755401
ZINC000102927844
ZINC000102927846
Check stock
See real-time availability and sample size for STL148457 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.