Vitas-M small molecule compound

(E)-{4-[(2-methylbenzyl)oxy]phenyl}[2-(5-methylfuran-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STL056271
SMILES Cc1ccc(o1)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C(=O)N1Cc1ccc[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 C30H26N2O5 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5/c1-19-6-3-4-8-23(19)18-36-24-12-10-22(11-13-24)28(33)26-27(25-14-9-20(2)37-25)32(30(35)29(26)34)17-21-7-5-15-31-16-21/h3-16,27,33H,17-18H2,1-2H3/b28-26+
InChIKey
YYUNSSNRDZPJSE-BYCLXTJYSA-N
Synonyms

(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(5METHYLFURAN2YL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(5METHYLFURAN2YL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(4((2methylbenzyl)oxy)phenyl)(2(5methylfuran2yl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC=C(O5)C)(O)
Cc1ccc(o1)C1C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC30H26N2O5c119634823(19)183624121022(111324)28(33)2627(2514920(2)3725)32(30(35)29(26)34)17217515311621h3162733H1718H212H3b2826+
MFCD18249726
ZINC000102895915
ZINC000102895916

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Available files

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