Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK829899
SMILES Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3
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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 C22H21BrN2O2S2 MW 489.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O2S2/c1-13(2)11-25-21(27)19-16-5-3-4-6-18(16)29-20(19)24-22(25)28-12-17(26)14-7-9-15(23)10-8-14/h7-10H,1,3-6,11-12H2,2H3InChIKey
QSBIBVFYQOLHMX-UHFFFAOYSA-NSynonyms
351440-73-82((2(4bromophenyl)2oxoethyl)sulfanyl)3(2methylprop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(4bromophenyl)2oxoethyl)thio)3(2methylallyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl3(2methylprop2enyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
351440738
CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)SC4=C2CCCC4
InChI=1SC22H21BrN2O2S2c113(2)112521(27)1916534618(16)2920(19)2422(25)281217(26)147915(23)10814h710H1361112H22H3
MFCD01559672
ZINC000002183136
ZINC02183136
ZINC2183136
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