Vitas-M small molecule compound
(5E)-1-(4-bromo-2-methylphenyl)-5-[4-(morpholin-4-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195535
SMILES Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C\c2ccc(cc2)N2CCOCC2)/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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-14-12-16(23)4-7-19(14)26-21(28)18(20(27)24-22(26)30)13-15-2-5-17(6-3-15)25-8-10-29-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,27,30)/b18-13+InChIKey
FLXSYQDXBOVYIA-QGOAFFKASA-NSynonyms
(5E)1(4BROMO2METHYLPHENYL)5((4MORPHOLIN4YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4BROMO2METHYLPHENYL)5(4(MORPHOLIN4YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
Brc1ccc(c(c1)C)N1C(=S)NC(=O)C(=Cc2ccc(cc2)N2CCOCC2)C1=O
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(C=C3)N4CCOCC4)C(=O)NC2=S
InChI=1SC22H20BrN3O3Sc1141216(23)4719(14)2621(28)18(20(27)2422(26)30)13152517(6315)258102911925h271213H811H21H3(H242730)b1813+
MFCD06666105
ZINC000009933804
ZINC09933804
ZINC9933804
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