Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-ethoxyphenyl)methanolate
Catalog ID
STL045682
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)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/c1-4-31-18-9-8-15(13-17(18)25)21(28)19-20(14-6-5-7-16(24)12-14)27(11-10-26(2)3)23(30)22(19)29/h5-9,12-13,20,28H,4,10-11H2,1-3H3/b21-19+InChIKey
NGWTVMWVNAOTDT-XUTLUUPISA-NSynonyms
615278-63-2(4E)5(3BROMOPHENYL)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(3chloro4ethoxyphenyl)methanolate
(E)(2(3BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3CHLORO4ETHOXYPHENYL)METHANOLATE
615278632
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)Br)(O))Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CC(NH+)(C)C)(O)
InChI=1SC23H24BrClN2O4c1431189815(1317(18)25)21(28)1920(1465716(24)1214)27(111026(2)3)23(30)22(19)29h5912132028H41011H213H3b2119+
MFCD18248684
ZINC000102877638
ZINC000102877642
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.