Vitas-M small molecule compound
3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL443990
SMILES O=c1c2c(sc3c2CCCC3)nc(n1c1ccccc1)SC/C=C/c1ccccc1
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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 C25H22N2OS2 MW 430.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2OS2/c28-24-22-20-15-7-8-16-21(20)30-23(22)26-25(27(24)19-13-5-2-6-14-19)29-17-9-12-18-10-3-1-4-11-18/h1-6,9-14H,7-8,15-17H2/b12-9+InChIKey
HWMRUKGPIFZBKM-FMIVXFBMSA-NSynonyms
3phenyl2(((2E)3phenylprop2en1yl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3phenyl2((E)3phenylprop2enyl)sulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC=CC5=CC=CC=C5
InChI=1SC25H22N2OS2c2824222015781621(20)3023(22)2625(27(24)19135261419)291791218103141118h16914H781517H2b129+
MFCD02970135
O=c1c2c(sc3c2CCCC3)nc(n1c1ccccc1)SCC=Cc1ccccc1
ZINC000054362775
ZINC54362775
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