Vitas-M small molecule compound

5-(morpholin-4-yl)-8-(octylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK532274
SMILES CCCCCCCCSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

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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 C25H34N4OS2 MW 470.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N4OS2/c1-2-3-4-5-6-9-16-31-25-22-21(26-17-27-25)20-18-10-7-8-11-19(18)23(28-24(20)32-22)29-12-14-30-15-13-29/h17H,2-16H2,1H3
InChIKey
IAURWXPHEUOBKH-UHFFFAOYSA-N
Synonyms

4(8(octylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin5yl)morpholine
5(morpholin4yl)8(octylsulfanyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCCCCCCSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
InChI=1SC25H34N4OS2c12345691631252221(26172725)201810781119(18)23(2824(20)3222)29121430151329h17H216H21H3
MFCD02993226
ZINC000097951162
ZINC97951162

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Available files

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