Vitas-M small molecule compound

(E)-[4-(benzyloxy)-3-methylphenyl][2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STK562218
SMILES COc1cc(ccc1OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[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 C33H30N2O6 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6/c1-21-16-25(12-13-26(21)41-20-22-8-5-4-6-9-22)31(36)29-30(24-11-14-27(39-2)28(17-24)40-3)35(33(38)32(29)37)19-23-10-7-15-34-18-23/h4-18,30,36H,19-20H2,1-3H3/b31-29+
InChIKey
YOZZKGMWHOQZDY-OWWNRXNESA-N
Synonyms

(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)OC)OC)(O))OCC5=CC=CC=C5
COc1cc(ccc1OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC33H30N2O6c1211625(121326(21)4120228546922)31(36)2930(24111427(392)28(1724)403)35(33(38)32(29)37)192310715341823h4183036H1920H213H3b3129+
MFCD18243993
ZINC000102510627
ZINC000102510635

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Available files

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