Vitas-M small molecule compound
2-{[(4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK841655
SMILES Cn1c(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nnc1SC/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 C23H23N5OS3 MW 481.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5OS3/c1-28-18(26-27-23(28)30-13-7-10-15-8-3-2-4-9-15)14-31-22-24-20(29)19-16-11-5-6-12-17(16)32-21(19)25-22/h2-4,7-10H,5-6,11-14H2,1H3,(H,24,25,29)/b10-7+InChIKey
JDUUSZLOCZEBTG-JXMROGBWSA-NSynonyms
308298-91-1(E)2(((5(cinnamylthio)4methyl4H124triazol3yl)methyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(((4methyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazol3yl)methyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((4methyl5((E)3phenylprop2enyl)sulfanyl124triazol3yl)methylsulfanyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
308298911
CN1C(=NN=C1SCC=CC2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
Cn1c(CSc2nc3sc4c(c3c(=O)(nH)2)CCCC4)nnc1SCC=Cc1ccccc1
InChI=1SC23H23N5OS3c12818(262723(28)3013710158324915)1431222420(29)191611561217(16)3221(19)2522h24710H561114H21H3(H242529)b107+
MFCD02333398
ZINC000013550264
ZINC13550264
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