Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK561576
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+](C)C)/[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 C23H27N3O5 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5/c1-25(2)11-6-12-26-20(16-7-5-10-24-14-16)19(22(28)23(26)29)21(27)15-8-9-17(30-3)18(13-15)31-4/h5,7-10,13-14,20,27H,6,11-12H2,1-4H3/b21-19+InChIKey
XMCVEFJSELXDDQ-XUTLUUPISA-NSynonyms
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(3PYRIDYL)3PYRROLIN2ONE
C(NH+)(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)(O))C(=O)C1=O)C3=CN=CC=C3
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)(C)C)(O)
InChI=1SC23H27N3O5c125(2)116122620(167510241416)19(22(28)23(26)29)21(27)158917(303)18(1315)314h571013142027H61112H214H3b2119+
MFCD18243829
ZINC000102505178
ZINC000102505188
Check stock
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Check stock on Vitas-MAvailable files
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