Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-methoxyphenyl)methanolate
Catalog ID
STL039713
SMILES COc1ccc(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 C27H33ClN2O4 MW 485.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O4/c1-27(2,3)19-11-8-17(9-12-19)23-22(24(31)18-10-13-21(34-6)20(28)16-18)25(32)26(33)30(23)15-7-14-29(4)5/h8-13,16,23,31H,7,14-15H2,1-6H3/b24-22+InChIKey
WDQXUMAFXYOFRM-ZNTNEXAZSA-NSynonyms
636992-22-8(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3chloro4methoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4METHOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636992228
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2CCCN(C)C
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(C)C)(O)
InChI=1SC27H33ClN2O4c127(23)1911817(91219)2322(24(31)18101321(346)20(28)1618)25(32)26(33)30(23)1571429(4)5h813162331H71415H216H3b2422+
MFCD18247887
ZINC000009233522
ZINC000009274483
Check stock
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