Vitas-M small molecule compound

(E)-(4-ethoxyphenyl){2-(4-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK561275
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OCC)N(C(=O)C1=O)CC[NH+]1CCOCC1)/[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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-3-34-21-9-5-19(6-10-21)24-23(25(30)20-7-11-22(12-8-20)35-4-2)26(31)27(32)29(24)14-13-28-15-17-33-18-16-28/h5-12,24,30H,3-4,13-18H2,1-2H3/b25-23+
InChIKey
LAQIXELGRVWSSH-WJTDDFOZSA-N
Synonyms

(4E)5(4ETHOXYPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4ETHOXYPHENYL)(2(4ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
5(4ETHOXYPHENYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)OCC)N(C(=O)C1=O)CC(NH+)1CCOCC1)(O)
InChI=1SC27H32N2O6c1334219519(61021)2423(25(30)2071122(12820)3542)26(31)27(32)29(24)141328151733181628h5122430H341318H212H3b2523+
MFCD18243744
ZINC000008982191
ZINC000008982195

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Available files

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