Vitas-M small molecule compound
(5E)-5-(3-bromo-4,5-diethoxybenzylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL416059
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccccc2)cc(c1OCC)Br
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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 C21H19BrN2O4S MW 475.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4S/c1-3-27-17-12-13(11-16(22)18(17)28-4-2)10-15-19(25)23-21(29)24(20(15)26)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b15-10+InChIKey
ZGATYJSDZSMOPS-XNTDXEJSSA-NSynonyms
(5E)5((3BROMO45DIETHOXYPHENYL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3bromo45diethoxybenzylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)OCC
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2)cc(c1OCC)Br
InChI=1SC21H19BrN2O4Sc1327171213(1116(22)18(17)2842)101519(25)2321(29)24(20(15)26)148657914h512H34H212H3(H232529)b1510+
MFCD02211448
ZINC000022130569
ZINC22130569
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