Vitas-M small molecule compound
2-[(2,4-dichlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK605436
SMILES Clc1ccc(c(c1)Cl)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 C21H20Cl2N2OS2 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2OS2/c1-12(2)10-25-20(26)18-15-5-3-4-6-17(15)28-19(18)24-21(25)27-11-13-7-8-14(22)9-16(13)23/h7-9H,1,3-6,10-11H2,2H3InChIKey
NOWJOKCXUWVTBC-UHFFFAOYSA-NSynonyms
489463-01-62((24dichlorobenzyl)sulfanyl)3(2methylprop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((24dichlorobenzyl)thio)3(2methylallyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((24dichlorophenyl)methylsulfanyl)3(2methylprop2enyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
489463016
CC(=C)CN1C(=O)C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)SC4=C2CCCC4
InChI=1SC21H20Cl2N2OS2c112(2)102520(26)1815534617(15)2819(18)2421(25)2711137814(22)916(13)23h79H1361011H22H3
MFCD03297623
ZINC000002280319
ZINC02280319
ZINC2280319
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