Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL047674
SMILES CCOc1cc(ccc1O)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C30H40N2O6 MW 524.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O6/c1-7-31(8-2)14-15-32-27(21-10-13-24(33)25(17-21)37-9-3)26(29(35)30(32)36)28(34)23-12-11-22(16-20(23)6)38-18-19(4)5/h10-13,16-17,19,27,33-34H,7-9,14-15,18H2,1-6H3/b28-26+InChIKey
KJOLRSKMIWPPDA-BYCLXTJYSA-NSynonyms
500277-80-5(4E)1(2DIETHYLAMINOETHYL)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3ETHOXY4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
500277805
CC(NH+)(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)O)OCC
CCOc1cc(ccc1O)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC30H40N2O6c1731(82)14153227(21101324(33)25(1721)3793)26(29(35)30(32)36)28(34)23121122(1620(23)6)381819(4)5h1013161719273334H79141518H216H3b2826+
MFCD18249112
ZINC000102883311
ZINC000102883312
Check stock
See real-time availability and sample size for STL047674 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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