Vitas-M small molecule compound
3-(4-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831014
SMILES CC(=C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCCC3
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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 C22H24N2OS2 MW 396.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2OS2/c1-14(2)13-26-22-23-20-19(17-7-5-4-6-8-18(17)27-20)21(25)24(22)16-11-9-15(3)10-12-16/h9-12H,1,4-8,13H2,2-3H3InChIKey
PPDMIIRSWCWLHN-UHFFFAOYSA-NSynonyms
351160-04-82((2methylallyl)thio)3(ptolyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3(4methylphenyl)2((2methylprop2en1yl)sulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(4methylphenyl)2(2methylprop2enylsulfanyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351160048
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=C)C)SC4=C3CCCCC4
InChI=1SC22H24N2OS2c114(2)132622232019(177546818(17)2720)21(25)24(22)1611915(3)101216h912H14813H223H3
MFCD01880414
ZINC000002066423
ZINC02066423
ZINC2066423
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