Vitas-M small molecule compound

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

Catalog ID
STK540016
SMILES CC(CCSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

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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 C22H28N4OS2 MW 428.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4OS2/c1-14(2)7-12-28-22-19-18(23-13-24-22)17-15-5-3-4-6-16(15)20(25-21(17)29-19)26-8-10-27-11-9-26/h13-14H,3-12H2,1-2H3
InChIKey
OHUOERKUWPYOOJ-UHFFFAOYSA-N
Synonyms
384373-87-9
384373879
4(8(isopentylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin5yl)morpholine
8((3methylbutyl)sulfanyl)5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CC(C)CCSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
InChI=1SC22H28N4OS2c114(2)71228221918(23132422)1715534616(15)20(2521(17)2919)268102711926h1314H312H212H3
MFCD03284933
ZINC000020057750
ZINC20057750

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Available files

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