Vitas-M small molecule compound
(5Z)-5-(3-bromo-4,5-diethoxybenzylidene)-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190119
SMILES CCOc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)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 C21H18BrClN2O4S MW 509.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O4S/c1-3-28-17-11-12(10-16(22)18(17)29-4-2)9-15-19(26)24-21(30)25(20(15)27)14-7-5-13(23)6-8-14/h5-11H,3-4H2,1-2H3,(H,24,26,30)/b15-9-InChIKey
ZUUQAVFAXQUZBU-DHDCSXOGSA-NSynonyms
(5Z)5((3BROMO45DIETHOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3BROMO45DIETHOXYBENZYLIDENE)1(4CHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)cc(c1OCC)Br
InChI=1SC21H18BrClN2O4Sc1328171112(1016(22)18(17)2942)91519(26)2421(30)25(20(15)27)147513(23)6814h511H34H212H3(H242630)b159
MFCD03729542
ZINC000015012888
ZINC15012888
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