Vitas-M small molecule compound
(5Z)-5-{2-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375306
SMILES CCCN1C(=S)N/C(=C\c2cc(OC)c(cc2Br)OCc2ccc(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 C22H23BrN2O3S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O3S/c1-4-9-25-21(26)18(24-22(25)29)10-16-11-19(27-3)20(12-17(16)23)28-13-15-7-5-14(2)6-8-15/h5-8,10-12H,4,9,13H2,1-3H3,(H,24,29)/b18-10-InChIKey
IBVNHWXQOXVBSE-ZDLGFXPLSA-NSynonyms
(5Z)5((2BROMO5METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(2bromo5methoxy4((4methylbenzyl)oxy)benzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=C(C=C3)C)OC)NC1=S
CCCN1C(=S)NC(=Cc2cc(OC)c(cc2Br)OCc2ccc(cc2)C)C1=O
InChI=1SC22H23BrN2O3Sc1492521(26)18(2422(25)29)10161119(273)20(1217(16)23)2813157514(2)6815h581012H4913H213H3(H2429)b1810
MFCD04086983
ZINC000003667715
ZINC03667715
ZINC3667715
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