Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL039449
SMILES COc1cc(ccc1O)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-7-30(8-2)13-14-31-26(20-9-11-22(32)24(16-20)36-6)25(28(34)29(31)35)27(33)21-10-12-23(19(5)15-21)37-17-18(3)4/h9-12,15-16,18,26,32-33H,7-8,13-14,17H2,1-6H3/b27-25+InChIKey
LEINWDNFNWLTRM-IMVLJIQESA-NSynonyms
497866-07-6(4E)1(2DIETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
497866076
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)O)OC
COc1cc(ccc1O)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC29H38N2O6c1730(82)13143126(2091122(32)24(1620)366)25(28(34)29(31)35)27(33)21101223(19(5)1521)371718(3)4h912151618263233H78131417H216H3b2725+
MFCD18247836
ZINC000102863539
ZINC000102863540
Check stock
See real-time availability and sample size for STL039449 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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