Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL045996
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)Br)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)11-12-24-18(14-7-9-15(22)10-8-14)17(20(26)21(24)27)19(25)16-6-5-13-28-16/h5-10,13,18,25H,3-4,11-12H2,1-2H3/b19-17+InChIKey
QPYSQDJIXRMSPB-HTXNQAPBSA-NSynonyms
(E)(2(4bromophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2cccs2)(O))C1c1ccc(cc1)Br)CC
MFCD18248759
ZINC000009041713
ZINC000009135575
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