Vitas-M small molecule compound
(5E)-5-(3-bromo-4,5-diethoxybenzylidene)-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK727463
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2)C)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 C22H21BrN2O4S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O4S/c1-4-28-18-12-14(11-17(23)19(18)29-5-2)10-16-20(26)24-22(30)25(21(16)27)15-8-6-13(3)7-9-15/h6-12H,4-5H2,1-3H3,(H,24,26,30)/b16-10+InChIKey
UXXXFCGEVJYIHC-MHWRWJLKSA-NSynonyms
(5E)5((3BROMO45DIETHOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3bromo45diethoxybenzylidene)1(4methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
5(3BROMO45DIETHOXYBENZYLIDENE)1(4METHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C)Br)OCC
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)C)cc(c1OCC)Br
InChI=1SC22H21BrN2O4Sc1428181214(1117(23)19(18)2952)101620(26)2422(30)25(21(16)27)158613(3)7915h612H45H213H3(H242630)b1610+
MFCD01461729
ZINC000000716407
ZINC00716407
ZINC716407
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