Vitas-M small molecule compound
(5Z)-5-[5-bromo-2-(prop-2-en-1-yloxy)benzylidene]-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375337
SMILES CCCN1C(=S)N/C(=C\c2cc(Br)ccc2OCC=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 C16H17BrN2O2S MW 381.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O2S/c1-3-7-19-15(20)13(18-16(19)22)10-11-9-12(17)5-6-14(11)21-8-4-2/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,22)/b13-10-InChIKey
XHXNJYQJDSIUEM-RAXLEYEMSA-NSynonyms
(5Z)5((5BROMO2PROP2ENOXYPHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(5bromo2(prop2en1yloxy)benzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC=C)NC1=S
CCCN1C(=S)NC(=Cc2cc(Br)ccc2OCC=C)C1=O
InChI=1SC16H17BrN2O2Sc1371915(20)13(1816(19)22)1011912(17)5614(11)21842h46910H2378H21H3(H1822)b1310
MFCD04086868
ZINC000003667783
ZINC03667783
ZINC3667783
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