Vitas-M small molecule compound

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

Catalog ID
STK840554
SMILES CCCCCSc1ncnc2c1sc1c2c2CCCCc2c(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 C22H28N4OS2 MW 428.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4OS2/c1-2-3-6-13-28-22-19-18(23-14-24-22)17-15-7-4-5-8-16(15)20(25-21(17)29-19)26-9-11-27-12-10-26/h14H,2-13H2,1H3
InChIKey
NWOFAAPCCXSPAV-UHFFFAOYSA-N
Synonyms
383900-23-0
383900230
4(8(pentylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin5yl)morpholine
5(morpholin4yl)8(pentylsulfanyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCCCSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
InChI=1SC22H28N4OS2c12361328221918(23142422)1715745816(15)20(2521(17)2919)2691127121026h14H213H21H3
MFCD03283841
ZINC000020057527
ZINC20057527

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Available files

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