Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375198
SMILES CCCN1C(=S)N/C(=C\c2cc(Br)c(c(c2)OC)OCc2ccc(cc2)Cl)/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 C21H20BrClN2O3S MW 495.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrClN2O3S/c1-3-8-25-20(26)17(24-21(25)29)10-14-9-16(22)19(18(11-14)27-2)28-12-13-4-6-15(23)7-5-13/h4-7,9-11H,3,8,12H2,1-2H3,(H,24,29)/b17-10-InChIKey
BTYMFWLBEWSWSL-YVLHZVERSA-NSynonyms
(5Z)5((3BROMO4((4CHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3bromo4((4chlorobenzyl)oxy)5methoxybenzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)Cl)OC)NC1=S
CCCN1C(=S)NC(=Cc2cc(Br)c(c(c2)OC)OCc2ccc(cc2)Cl)C1=O
InChI=1SC21H20BrClN2O3Sc1382520(26)17(2421(25)29)1014916(22)19(18(1114)272)2812134615(23)7513h47911H3812H212H3(H2429)b1710
MFCD04086919
ZINC000003662867
ZINC03662867
ZINC3662867
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