Vitas-M small molecule compound

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

Catalog ID
STK561929
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)CCCn1cc[nH+]c1)/[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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-4-36-21-10-7-19(8-11-21)26(32)24-25(20-9-12-22(37-5-2)23(17-20)35-3)31(28(34)27(24)33)15-6-14-30-16-13-29-18-30/h7-13,16-18,25,32H,4-6,14-15H2,1-3H3/b26-24+
InChIKey
NYXPGNOCFRULHB-SHHOIMCASA-N
Synonyms
636987-99-0
(4E)5(4ETHOXY3METHOXYPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethoxy3methoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
5(4ETHOXY3METHOXYPHENYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
636987990
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C=C4)OCC)OC)O
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)CCCn1cc(nH+)c1)(O)
InChI=1SC28H31N3O6c14362110719(81121)26(32)2425(2091222(3752)23(1720)353)31(28(34)27(24)33)15614301613291830h71316182532H461415H213H3b2624+
MFCD18243927
ZINC000102508228
ZINC000102508238

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Available files

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