Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-methoxyphenyl)methanolate
Catalog ID
STL044145
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[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 C22H22BrClN2O4 MW 493.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrClN2O4/c1-25(2)10-11-26-19(13-4-7-15(23)8-5-13)18(21(28)22(26)29)20(27)14-6-9-17(30-3)16(24)12-14/h4-9,12,19,27H,10-11H2,1-3H3/b20-18+InChIKey
IQDHPKJZEOFQIP-CZIZESTLSA-NSynonyms
636988-24-4(4E)5(4BROMOPHENYL)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(3chloro4methoxyphenyl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4METHOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)5(4BROMOPHENYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636988244
C(NH+)(C)CCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)(O))C(=O)C1=O)C3=CC=C(C=C3)Br
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CC(NH+)(C)C)(O)
InChI=1SC22H22BrClN2O4c125(2)10112619(134715(23)8513)18(21(28)22(26)29)20(27)146917(303)16(24)1214h49121927H1011H213H3b2018+
MFCD18248359
ZINC000008922685
ZINC000008987411
Check stock
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Check stock on Vitas-MAvailable files
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