Vitas-M small molecule compound
(5Z)-5-[3-bromo-4-(dimethylamino)benzylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187933
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(c(c2)Br)N(C)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 C21H20BrN3O3S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O3S/c1-4-28-15-8-6-14(7-9-15)25-20(27)16(19(26)23-21(25)29)11-13-5-10-18(24(2)3)17(22)12-13/h5-12H,4H2,1-3H3,(H,23,26,29)/b16-11-InChIKey
IVDUBLMHCXIYCS-WJDWOHSUSA-NSynonyms
(5Z)5((3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO4(DIMETHYLAMINO)BENZYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)Br)N(C)C)C1=O
InChI=1SC21H20BrN3O3Sc1428158614(7915)2520(27)16(19(26)2321(25)29)111351018(24(2)3)17(22)1213h512H4H213H3(H232629)b1611
MFCD02629137
ZINC000006387849
ZINC06387849
ZINC6387849
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