Vitas-M small molecule compound

2-(hexylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK831005
SMILES CCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCC3

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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 C22H26N2OS2 MW 398.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2OS2/c1-3-4-5-6-14-26-22-23-20-19(17-8-7-9-18(17)27-20)21(25)24(22)16-12-10-15(2)11-13-16/h10-13H,3-9,14H2,1-2H3
InChIKey
QNEGPZWOWOLJFO-UHFFFAOYSA-N
Synonyms
351160-38-8
2(hexylsulfanyl)3(4methylphenyl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
2(hexylthio)3(ptolyl)67dihydro3Hcyclopenta(45)thieno(23d)pyrimidin4(5H)one
351160388
3hexylsulfanyl2(4methylphenyl)78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin1one
CCCCCCSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)C
InChI=1SC22H26N2OS2c13456142622232019(1787918(17)2720)21(25)24(22)16121015(2)111316h1013H3914H212H3
MFCD01950038
ZINC000002282504
ZINC02282504
ZINC2282504

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Available files

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