Vitas-M small molecule compound

(E)-{2-(3-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK561853
SMILES CCCOc1ccc(cc1)/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 C24H27BrN2O4 MW 487.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN2O4/c1-4-14-31-19-10-8-16(9-11-19)22(28)20-21(17-6-5-7-18(25)15-17)27(13-12-26(2)3)24(30)23(20)29/h5-11,15,21,28H,4,12-14H2,1-3H3/b22-20+
InChIKey
KNYKPSDVVZVRKG-LSDHQDQOSA-N
Synonyms
615272-56-5
(4E)5(3bromophenyl)1(2(dimethylamino)ethyl)4(hydroxy(4propoxyphenyl)methylidene)pyrrolidine23dione
(4E)5(3BROMOPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(3BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)5(3BROMOPHENYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615272565
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)Br)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CC(NH+)(C)C)(O)
InChI=1SC24H27BrN2O4c1414311910816(91119)22(28)2021(1765718(25)1517)27(131226(2)3)24(30)23(20)29h511152128H41214H213H3b2220+
MFCD18243913
ZINC000102507622
ZINC000102507629

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.