Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL042510
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-5-14-33-18-9-6-16(7-10-18)23(29)21-22(17-8-11-19(28)20(15-17)32-4)27(13-12-26(2)3)25(31)24(21)30/h6-11,15,22,28-29H,5,12-14H2,1-4H3/b23-21+InChIKey
OJSKKJJLXLGSCB-XTQSDGFTSA-NSynonyms
(4E)1(2DIMETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=C(C=C3)O)OC)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC(NH+)(C)C)(O)
InChI=1SC25H30N2O6c151433189616(71018)23(29)2122(1781119(28)20(1517)324)27(131226(2)3)25(31)24(21)30h61115222829H51214H214H3b2321+
MFCD18248168
ZINC000102870477
ZINC000102870482
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.