Vitas-M small molecule compound

9-benzyl-5-(ethylsulfanyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol

Catalog ID
STK562890
SMILES CCSc1nc2sc3c(c2c2n1c(S)nn2)CCN(C3)Cc1ccccc1

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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 C19H19N5S3 MW 413.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5S3/c1-2-26-19-20-17-15(16-21-22-18(25)24(16)19)13-8-9-23(11-14(13)27-17)10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,22,25)
InChIKey
RUCHEJAPFXKXQV-UHFFFAOYSA-N
Synonyms
383395-47-9
383395479
9benzyl5(ethylsulfanyl)891011tetrahydropyrido(4345)thieno(32e)(124)triazolo(43c)pyrimidine3thiol
CCSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C5=NNC(=S)N51
InChI=1SC19H19N5S3c122619201715(16212218(25)24(16)19)138923(1114(13)2717)10126435712h37H2811H21H3(H2225)
MFCD03802478
ZINC000006784289
ZINC6784289

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Available files

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