Vitas-M small molecule compound

(E)-[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate

Catalog ID
STL040204
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)c1cccc[nH+]1)/[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 C26H24N2O5 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5/c1-3-16-33-20-13-9-18(10-14-20)24(29)22-23(17-7-11-19(32-2)12-8-17)28(26(31)25(22)30)21-6-4-5-15-27-21/h4-15,23,29H,3,16H2,1-2H3/b24-22+
InChIKey
GABOWALXTHBLET-ZNTNEXAZSA-N
Synonyms
840471-66-1
(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4methoxyphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
840471661
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)OC)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)c1cccc(nH+)1)(O)
InChI=1SC26H24N2O5c1316332013918(101420)24(29)2223(1771119(322)12817)28(26(31)25(22)30)21645152721h4152329H316H212H3b2422+
MFCD18247977
ZINC000102866083
ZINC000102866088

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Available files

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