Vitas-M small molecule compound

1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethanone

Catalog ID
STK069901
SMILES O=C(N1CCc2c(C1)cccc2)CSc1nc(C)cc(n1)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 C17H19N3OS MW 313.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3OS/c1-12-9-13(2)19-17(18-12)22-11-16(21)20-8-7-14-5-3-4-6-15(14)10-20/h3-6,9H,7-8,10-11H2,1-2H3
InChIKey
HMAAGTPXWSPQFW-UHFFFAOYSA-N
Synonyms

1(34DIHYDRO1HISOQUINOLIN2YL)2(46DIMETHYLPYRIMIDIN2YL)SULFANYLETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ETHANONE
1(34dihydroisoquinolin2(1H)yl)2((46dimethylpyrimidin2yl)thio)ethanone
CC1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)C
InChI=1SC17H19N3OSc112913(2)1917(1812)221116(21)208714534615(14)1020h369H781011H212H3
MFCD02737534
O=C(N1CCc2c(C1)cccc2)CSc1nc(C)cc(n1)C
STK069901
ZINC000000117885
ZINC00117885
ZINC117885

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Available files

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