Vitas-M small molecule compound

2,2'-{[2-(methylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-d]pyrimidin-4-yl]imino}diethanol

Catalog ID
STK608551
SMILES OCCN(c1nc(SC)nc2c1sc1c2CCCC1)CCO

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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 C15H21N3O2S2 MW 339.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N3O2S2/c1-21-15-16-12-10-4-2-3-5-11(10)22-13(12)14(17-15)18(6-8-19)7-9-20/h19-20H,2-9H2,1H3
InChIKey
PVHJHLPCAAWXCG-UHFFFAOYSA-N
Synonyms
903866-90-0
2(2hydroxyethyl(2methylsulfanyl6789tetrahydro(1)benzothiolo(32d)pyrimidin4yl)amino)ethanol
22((2(methylsulfanyl)6789tetrahydro(1)benzothieno(32d)pyrimidin4yl)imino)diethanol
22((2(methylthio)6789tetrahydrobenzo(45)thieno(32d)pyrimidin4yl)azanediyl)diethanol
903866900
CSC1=NC2=C(C(=N1)N(CCO)CCO)SC3=C2CCCC3
InChI=1SC15H21N3O2S2c12115161210423511(10)2213(12)14(1715)18(6819)7920h1920H29H21H3
MFCD08287217
ZINC000006670435
ZINC06670435
ZINC6670435

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Available files

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