Vitas-M small molecule compound

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

Catalog ID
STK525428
SMILES CCCCc1nc2sc3c(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 C24H25N3S2 MW 419.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3S2/c1-2-3-13-19-17-11-7-8-12-18(17)20-21-22(29-23(20)27-19)24(26-15-25-21)28-14-16-9-5-4-6-10-16/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3
InChIKey
LWGYGIARSKZVGG-UHFFFAOYSA-N
Synonyms
372974-49-7
372974497
8(benzylsulfanyl)5butyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
8(benzylthio)5butyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC5=CC=CC=C5)SC3=N1
InChI=1SC24H25N3S2c12313191711781218(17)202122(2923(20)2719)24(26152521)28141695461016h4691015H23781114H21H3
MFCD01955275
ZINC000004815404
ZINC04815404
ZINC4815404

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Available files

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