Vitas-M small molecule compound

8-(benzylsulfanyl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK532652
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCc1ccccc1

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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 C23H23N3S2 MW 405.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3S2/c1-2-8-18-16-11-6-7-12-17(16)19-20-21(28-22(19)26-18)23(25-14-24-20)27-13-15-9-4-3-5-10-15/h3-5,9-10,14H,2,6-8,11-13H2,1H3
InChIKey
JUYDDXWQXOECRG-UHFFFAOYSA-N
Synonyms

8(benzylsulfanyl)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
8(benzylthio)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC5=CC=CC=C5)SC3=N1
InChI=1SC23H23N3S2c128181611671217(16)192021(2822(19)2618)23(25142420)27131594351015h3591014H2681113H21H3
MFCD02239974
ZINC000002297636
ZINC02297636
ZINC2297636

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Available files

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