Vitas-M small molecule compound

3-benzyl-2-(heptylsulfanyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine

Catalog ID
STK995747
SMILES CCCCCCCSC1=Nc2sc3c(c2CN1Cc1ccccc1)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 C24H32N2S2 MW 412.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2S2/c1-2-3-4-5-11-16-27-24-25-23-21(20-14-9-10-15-22(20)28-23)18-26(24)17-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3
InChIKey
OJUGWZQXJHDTLW-UHFFFAOYSA-N
Synonyms
675874-35-8
3benzyl2(heptylsulfanyl)345678hexahydro(1)benzothieno(23d)pyrimidine
3benzyl2heptylsulfanyl5678tetrahydro4H(1)benzothiolo(23d)pyrimidine
675874358
CCCCCCCSC1=NC2=C(CN1CC3=CC=CC=C3)C4=C(S2)CCCC4
InChI=1SC24H32N2S2c1234511162724252321(20149101522(20)2823)1826(24)1719127681319h681213H259111418H21H3
MFCD02631025
ZINC000098048244
ZINC98048244

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.