Vitas-M small molecule compound

(E)-(3-chloro-4-ethoxyphenyl){2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK558827
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCCn1cc[nH+]c1)/[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 C27H28ClN3O6 MW 525.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O6/c1-4-37-22-8-6-17(14-20(22)28)25(32)23-24(19-15-18(35-2)7-9-21(19)36-3)31(27(34)26(23)33)12-5-11-30-13-10-29-16-30/h6-10,13-16,24,32H,4-5,11-12H2,1-3H3/b25-23+
InChIKey
LTEPJWCHJJCAIZ-WJTDDFOZSA-N
Synonyms
636988-75-5
(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(25DIMETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(2(25dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
5(25DIMETHOXYPHENYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
636988755
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=C(C=CC(=C4)OC)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCCn1cc(nH+)c1)(O)
InChI=1SC27H28ClN3O6c1437228617(1420(22)28)25(32)2324(191518(352)7921(19)363)31(27(34)26(23)33)12511301310291630h61013162432H451112H213H3b2523+
MFCD18243121
ZINC000102482566
ZINC000102482574

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Available files

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