Vitas-M small molecule compound

3-benzyl-2-(hexylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK995748
SMILES CCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C24H30N2OS2 MW 426.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2OS2/c1-2-3-4-11-16-28-24-25-22-21(19-14-9-6-10-15-20(19)29-22)23(27)26(24)17-18-12-7-5-8-13-18/h5,7-8,12-13H,2-4,6,9-11,14-17H2,1H3
InChIKey
KJVGVGBYVFPSMV-UHFFFAOYSA-N
Synonyms
351160-94-6
351160946
3benzyl2(hexylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3benzyl2hexylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CCCCCCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
InChI=1SC24H30N2OS2c123411162824252221(191496101520(19)2922)23(27)26(24)1718127581318h5781213H2469111417H21H3
MFCD01879765
ZINC000016638394
ZINC16638394

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Available files

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