Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethanone
Catalog ID
STK289346
SMILES O=C(N1CCc2c(C1)cccc2)CSc1nnnn1c1ccc(c(c1)C)C
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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 C20H21N5OS MW 379.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5OS/c1-14-7-8-18(11-15(14)2)25-20(21-22-23-25)27-13-19(26)24-10-9-16-5-3-4-6-17(16)12-24/h3-8,11H,9-10,12-13H2,1-2H3InChIKey
NKXMIFQYLFAKHJ-UHFFFAOYSA-NSynonyms
1(34DIHYDRO1HISOQUINOLIN2YL)2(1(34DIMETHYLPHENYL)TETRAZOL5YL)SULFANYLETHANONE
1(34dihydroisoquinolin2(1H)yl)2((1(34dimethylphenyl)1Htetrazol5yl)sulfanyl)ethanone
CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCC4=CC=CC=C4C3)C
InChI=1SC20H21N5OSc1147818(1115(14)2)2520(21222325)271319(26)2410916534617(16)1224h3811H9101213H212H3
MFCD07675177
ZINC000005392133
ZINC05392133
ZINC5392133
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