Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3,4-dimethoxyphenyl)methanolate
Catalog ID
STK559078
SMILES COc1ccc(cc1OC)/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 C28H36N2O5 MW 480.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5/c1-28(2,3)20-12-9-18(10-13-20)24-23(26(32)27(33)30(24)16-8-15-29(4)5)25(31)19-11-14-21(34-6)22(17-19)35-7/h9-14,17,24,31H,8,15-16H2,1-7H3/b25-23+InChIKey
VBFVWFVDOMNTLA-WJTDDFOZSA-NSynonyms
615276-50-1(4E)5(4TERTBUTYLPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(34dimethoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(34DIMETHOXYPHENYL)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)3HYDROXY3PYRROLIN2ONE
615276501
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)(O))C(=O)C(=O)N2CCC(NH+)(C)C
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(C)C)(O)
InChI=1SC28H36N2O5c128(23)2012918(101320)2423(26(32)27(33)30(24)1681529(4)5)25(31)19111421(346)22(1719)357h914172431H81516H217H3b2523+
MFCD18243185
ZINC000008902305
ZINC000102484371
Check stock
See real-time availability and sample size for STK559078 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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