Vitas-M small molecule compound

(E)-{2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate

Catalog ID
STK563518
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-4-36-22-12-9-20(17-23(22)37-5-2)25-24(26(32)19-7-10-21(35-3)11-8-19)27(33)28(34)31(25)15-6-14-30-16-13-29-18-30/h7-13,16-18,25,32H,4-6,14-15H2,1-3H3/b26-24+
InChIKey
RHHNYZHYBKJZAV-SHHOIMCASA-N
Synonyms
620145-58-6
(4E)5(34DIETHOXYPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
5(34DIETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
620145586
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CCCN4C=CN=C4)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)OC)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC28H31N3O6c14362212920(1723(22)3752)2524(26(32)1971021(353)11819)27(33)28(34)31(25)15614301613291830h71316182532H461415H213H3b2624+
MFCD18244319
ZINC000102521151
ZINC000102521157

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Available files

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