Vitas-M small molecule compound
(5Z)-5-{5-bromo-2-[(4-methylbenzyl)oxy]benzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375200
SMILES CCCN1C(=S)N/C(=C\c2cc(Br)ccc2OCc2ccc(cc2)C)/C1=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 C21H21BrN2O2S MW 445.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O2S/c1-3-10-24-20(25)18(23-21(24)27)12-16-11-17(22)8-9-19(16)26-13-15-6-4-14(2)5-7-15/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,27)/b18-12-InChIKey
YROIUGWQMYQTMK-PDGQHHTCSA-NSynonyms
(5Z)5((5BROMO2((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(5bromo2((4methylbenzyl)oxy)benzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C)NC1=S
CCCN1C(=S)NC(=Cc2cc(Br)ccc2OCc2ccc(cc2)C)C1=O
InChI=1SC21H21BrN2O2Sc13102420(25)18(2321(24)27)12161117(22)8919(16)2613156414(2)5715h491112H31013H212H3(H2327)b1812
MFCD04086866
ZINC000003662873
ZINC03662873
ZINC3662873
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