Vitas-M small molecule compound

1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone

Catalog ID
STK770032
SMILES O=C(N1CCc2c(C1)cccc2)CSc1nnnn1C

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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 C13H15N5OS MW 289.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5OS/c1-17-13(14-15-16-17)20-9-12(19)18-7-6-10-4-2-3-5-11(10)8-18/h2-5H,6-9H2,1H3
InChIKey
QJBLCFSCBCSNNR-UHFFFAOYSA-N
Synonyms
663937-60-8
1(34DIHYDRO1HISOQUINOLIN2YL)2((1METHYL5TETRAZOLYL)THIO)ETHANONE
1(34DIHYDRO1HISOQUINOLIN2YL)2((1METHYLTETRAZOL5YL)THIO)ETHANONE
1(34DIHYDRO1HISOQUINOLIN2YL)2(1METHYL1HTETRAZOL5YLSULFANYL)ETHANONE
1(34DIHYDRO1HISOQUINOLIN2YL)2(1METHYLTETRAZOL5YL)SULFANYLETHANONE
1(34dihydroisoquinolin2(1H)yl)2((1methyl1Htetrazol5yl)sulfanyl)ethanone
1(34dihydroisoquinolin2(1H)yl)2((1methyl1Htetrazol5yl)thio)ethanone
663937608
CN1C(=NN=N1)SCC(=O)N2CCC3=CC=CC=C3C2
ETHANONE1(34DIHYDRO1HISOQUINOLIN2YL)2(1METHYL1HTETRAZOL5YLSULFANYL)
InChI=1SC13H15N5OSc11713(14151617)20912(19)187610423511(10)818h25H69H21H3
MFCD03640783
ZINC000000094685
ZINC00094685
ZINC94685

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Available files

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