Vitas-M small molecule compound
(5E)-5-(5-bromo-2,4-diethoxybenzylidene)-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK758675
SMILES CCOc1cc(OCC)c(cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1C)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/c1-4-28-18-12-19(29-5-2)16(23)11-14(18)10-15-20(26)24-22(30)25(21(15)27)17-9-7-6-8-13(17)3/h6-12H,4-5H2,1-3H3,(H,24,26,30)/b15-10+InChIKey
KTEPEGCXCOPYRU-XNTDXEJSSA-NSynonyms
(5E)5((5BROMO24DIETHOXYPHENYL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(5bromo24diethoxybenzylidene)1(2methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3C)Br)OCC
CCOc1cc(OCC)c(cc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1C)Br
InChI=1SC22H21BrN2O4Sc1428181219(2952)16(23)1114(18)101520(26)2422(30)25(21(15)27)17976813(17)3h612H45H213H3(H242630)b1510+
MFCD01460127
ZINC000012411320
ZINC12411320
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