Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL047444
SMILES CC[NH+](CCN1C(c2cccc(c2)Br)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)CC
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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 C21H23BrN2O3S MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O3S/c1-3-23(4-2)10-11-24-18(14-7-5-8-15(22)13-14)17(20(26)21(24)27)19(25)16-9-6-12-28-16/h5-9,12-13,18,25H,3-4,10-11H2,1-2H3/b19-17+InChIKey
PIFBTSGPISXQTD-HTXNQAPBSA-NSynonyms
(E)(2(3bromophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
CC(NH+)(CCN1C(c2cccc(c2)Br)C(=C(c2cccs2)(O))C(=O)C1=O)CC
MFCD18249069
ZINC000009071579
ZINC000009071595
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