Vitas-M small molecule compound

4-(1H-benzimidazol-2-ylsulfanyl)-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

Catalog ID
STK547049
SMILES c1ccc(cc1)Cc1nc(Sc2nc3c([nH]2)cccc3)c2c(n1)sc1c2CCCC1

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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 C24H20N4S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4S2/c1-2-8-15(9-3-1)14-20-27-22-21(16-10-4-7-13-19(16)29-22)23(28-20)30-24-25-17-11-5-6-12-18(17)26-24/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,25,26)
InChIKey
QYKPGWWYMFJOSY-UHFFFAOYSA-N
Synonyms
380474-81-7
380474817
4((1Hbenzo(d)imidazol2yl)thio)2benzyl5678tetrahydrobenzo(45)thieno(23d)pyrimidine
4(1Hbenzimidazol2ylsulfanyl)2benzyl5678tetrahydro(1)benzothieno(23d)pyrimidine
4(1Hbenzimidazol2ylsulfanyl)2benzyl5678tetrahydro(1)benzothiolo(23d)pyrimidine
c1ccc(cc1)Cc1nc(Sc2nc3c((nH)2)cccc3)c2c(n1)sc1c2CCCC1
C1CCC2=C(C1)C3=C(S2)N=C(N=C3SC4=NC5=CC=CC=C5N4)CC6=CC=CC=C6
InChI=1SC24H20N4S2c12815(931)1420272221(1610471319(16)2922)23(2820)3024251711561218(17)2624h1356891112H47101314H2(H2526)
MFCD03083855
ZINC000009380232
ZINC09380232
ZINC9380232

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Available files

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