Vitas-M small molecule compound
3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK720760
SMILES CC(=C)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)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 C21H22N2OS2 MW 382.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS2/c1-13(2)12-25-21-22-19-18(16-9-4-5-10-17(16)26-19)20(24)23(21)15-8-6-7-14(3)11-15/h6-8,11H,1,4-5,9-10,12H2,2-3H3InChIKey
MZTBCCDORRMWET-UHFFFAOYSA-NSynonyms
385387-88-22((2methylallyl)thio)3(mtolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(3methylphenyl)2((2methylprop2en1yl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(3methylphenyl)2(2methylprop2enylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
385387882
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=C)C)SC4=C3CCCC4
InChI=1SC21H22N2OS2c113(2)122521221918(169451017(16)2619)20(24)23(21)1586714(3)1115h6811H14591012H223H3
MFCD03285538
ZINC000002319982
ZINC02319982
ZINC2319982
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