Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK568798
SMILES CC[NH+](CCN1C(c2cccnc2)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)CC

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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 C25H31N3O4 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4/c1-5-27(6-2)14-15-28-22(19-8-7-13-26-16-19)21(24(30)25(28)31)23(29)18-9-11-20(12-10-18)32-17(3)4/h7-13,16-17,22,29H,5-6,14-15H2,1-4H3/b23-21+
InChIKey
CSMRKJLGVHNMBT-XTQSDGFTSA-N
Synonyms
385420-19-9
(4E)1(2(diethylamino)ethyl)4(hydroxy(4propan2yloxyphenyl)methylidene)5pyridin3ylpyrrolidine23dione
(E)(1(2(diethylammonio)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
385420199
CC(NH+)(CCN1C(c2cccnc2)C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)O)C(=O)C1=O)C3=CN=CC=C3
InChI=1SC25H31N3O4c1527(62)14152822(198713261619)21(24(30)25(28)31)23(29)1891120(121018)3217(3)4h71316172229H561415H214H3b2321+
MFCD08730458
ZINC000008996685
ZINC000008996686

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Available files

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