Vitas-M small molecule compound
(5Z)-5-[3-bromo-4-(dimethylamino)benzylidene]-1-(3-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL043373
SMILES CCOc1cccc(c1)N1C(=NC(=O)/C(=C/c2ccc(c(c2)Br)N(C)C)/C1=O)S
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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 C21H20BrN3O3S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O3S/c1-4-28-15-7-5-6-14(12-15)25-20(27)16(19(26)23-21(25)29)10-13-8-9-18(24(2)3)17(22)11-13/h5-12H,4H2,1-3H3,(H,23,26,29)/b16-10-InChIKey
JRSDOGDTIYRVIW-YBEGLDIGSA-NSynonyms
348596-45-2(5Z)5((3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3bromo4(dimethylamino)benzylidene)1(3ethoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
348596452
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)C(=O)NC2=S
CCOc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(c(c2)Br)N(C)C)C1=O)S
InChI=1SC21H20BrN3O3Sc14281575614(1215)2520(27)16(19(26)2321(25)29)10138918(24(2)3)17(22)1113h512H4H213H3(H232629)b1610
MFCD04074959
ZINC000009465419
ZINC09465419
ZINC9465419
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