Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-ethoxyphenyl)methanolate
Catalog ID
STK558798
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C28H35ClN2O4 MW 499.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35ClN2O4/c1-7-35-22-14-11-19(17-21(22)29)25(32)23-24(18-9-12-20(13-10-18)28(2,3)4)31(27(34)26(23)33)16-8-15-30(5)6/h9-14,17,24,32H,7-8,15-16H2,1-6H3/b25-23+InChIKey
FGGZMCUKCANYFO-WJTDDFOZSA-NSynonyms
636991-94-1(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3chloro4ethoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4ETHOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636991941
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)(C)C)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(C)C)(O)
InChI=1SC28H35ClN2O4c173522141119(1721(22)29)25(32)2324(1891220(131018)28(23)4)31(27(34)26(23)33)1681530(5)6h914172432H781516H216H3b2523+
MFCD18243113
ZINC000102482357
ZINC000102482365
Check stock
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Check stock on Vitas-MAvailable files
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