Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL050573
SMILES COc1cc(ccc1O)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-6-29(7-2)14-15-30-25(20-10-13-22(31)23(16-20)35-5)24(27(33)28(30)34)26(32)19-8-11-21(12-9-19)36-17-18(3)4/h8-13,16,18,25,31-32H,6-7,14-15,17H2,1-5H3/b26-24+InChIKey
BCCQEEFMGDMHMV-SHHOIMCASA-NSynonyms
847160-75-2(4E)1(2DIETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
847160752
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OCC(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(cc1)OCC(C)C)(O)
InChI=1SC28H36N2O6c1629(72)14153025(20101322(31)23(1620)355)24(27(33)28(30)34)26(32)1981121(12919)361718(3)4h8131618253132H67141517H215H3b2624+
MFCD18249338
ZINC000009350126
ZINC000009412669
Check stock
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Check stock on Vitas-MAvailable files
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