Vitas-M small molecule compound

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

Catalog ID
STL051272
SMILES Cc1ccc(o1)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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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/c1-19-4-3-5-22(16-19)18-36-24-9-7-23(8-10-24)28(33)26-27(25-11-6-20(2)37-25)32(30(35)29(26)34)17-21-12-14-31-15-13-21/h3-16,27,33H,17-18H2,1-2H3/b28-26+
InChIKey
IXROISCGEAKUOO-BYCLXTJYSA-N
Synonyms
836636-30-7
(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(5METHYLFURAN2YL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(5METHYLFURAN2YL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(4((3methylbenzyl)oxy)phenyl)(2(5methylfuran2yl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
836636307
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC=C(O5)C)O
Cc1ccc(o1)C1C(=C(c2ccc(cc2)OCc2cccc(c2)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC30H26N2O5c11943522(1619)1836249723(81024)28(33)2627(2511620(2)3725)32(30(35)29(26)34)1721121431151321h3162733H1718H212H3b2826+
MFCD18249386
ZINC000102888227
ZINC000102888229

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Available files

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