Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL043849
SMILES C[NH+](CCCN1C(c2cccc(c2)Br)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)C
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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 C20H21BrN2O3S MW 449.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O3S/c1-22(2)9-5-10-23-17(13-6-3-7-14(21)12-13)16(19(25)20(23)26)18(24)15-8-4-11-27-15/h3-4,6-8,11-12,17,24H,5,9-10H2,1-2H3/b18-16+InChIKey
YCGNXQTZDZIQRK-FBMGVBCBSA-NSynonyms
(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
C(NH+)(CCCN1C(c2cccc(c2)Br)C(=C(c2cccs2)(O))C(=O)C1=O)C
MFCD18248300
ZINC000009065068
ZINC000009178292
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