Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-ethoxyphenyl)methanolate
Catalog ID
STK560335
SMILES CCOc1ccc(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 C23H24BrClN2O4 MW 507.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrClN2O4/c1-4-31-18-10-7-15(13-17(18)25)21(28)19-20(14-5-8-16(24)9-6-14)27(12-11-26(2)3)23(30)22(19)29/h5-10,13,20,28H,4,11-12H2,1-3H3/b21-19+InChIKey
ZHTSHDREZFPCGH-XUTLUUPISA-NSynonyms
615278-66-5(4E)5(4BROMOPHENYL)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(3chloro4ethoxyphenyl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4ETHOXYPHENYL)METHANOLATE
615278665
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)Br)(O))Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CC(NH+)(C)C)(O)
InChI=1SC23H24BrClN2O4c14311810715(1317(18)25)21(28)1920(145816(24)9614)27(121126(2)3)23(30)22(19)29h510132028H41112H213H3b2119+
MFCD18243506
ZINC000102495187
ZINC000102495193
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.