Vitas-M small molecule compound
5-bromo-2-{5-[(E)-(1,3-diethyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL378575
SMILES CCN1/C(=C/c2ccc(o2)c2ccc(cc2C(=O)O)Br)/C(=O)N(C1=S)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 C19H17BrN2O4S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4S/c1-3-21-15(17(23)22(4-2)19(21)27)10-12-6-8-16(26-12)13-7-5-11(20)9-14(13)18(24)25/h5-10H,3-4H2,1-2H3,(H,24,25)/b15-10+InChIKey
LINIEDMBRMSODZ-XNTDXEJSSA-NSynonyms
5BROMO2(5((E)(13DIETHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
5bromo2(5((E)(13diethyl5oxo2thioxoimidazolidin4ylidene)methyl)furan2yl)benzoicacid
CCN1C(=CC2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)O)C(=O)N(C1=S)CC
CCN1C(=Cc2ccc(o2)c2ccc(cc2C(=O)O)Br)C(=O)N(C1=S)CC
InChI=1SC19H17BrN2O4Sc132115(17(23)22(42)19(21)27)10126816(2612)137511(20)914(13)18(24)25h510H34H212H3(H2425)b1510+
MFCD03307313
ZINC000001123222
ZINC1123222
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