Vitas-M small molecule compound

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

Catalog ID
STK560768
SMILES Clc1ccc(c(c1)Cl)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 C31H24Cl2N2O4 MW 559.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24Cl2N2O4/c1-19-14-22(9-12-26(19)39-18-20-6-3-2-4-7-20)29(36)27-28(24-11-10-23(32)15-25(24)33)35(31(38)30(27)37)17-21-8-5-13-34-16-21/h2-16,28,36H,17-18H2,1H3/b29-27+
InChIKey
SOVWXUHQTPCFSB-ORIPQNMZSA-N
Synonyms

(4E)5(24DICHLOROPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(24DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(24dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=C(C=C(C=C4)Cl)Cl)O)OCC5=CC=CC=C5
Clc1ccc(c(c1)Cl)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC31H24Cl2N2O4c1191422(91226(19)3918206324720)29(36)2728(24111023(32)1525(24)33)35(31(38)30(27)37)17218513341621h2162836H1718H21H3b2927+
MFCD18243628
ZINC000102498781
ZINC000102498794

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Available files

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