Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK279398
SMILES CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1ccc2c(c1)CCCC2
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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 C25H28N4OS MW 432.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4OS/c1-2-29-24(21-12-11-18-7-3-5-9-20(18)15-21)26-27-25(29)31-17-23(30)28-14-13-19-8-4-6-10-22(19)16-28/h4,6,8,10-12,15H,2-3,5,7,9,13-14,16-17H2,1H3InChIKey
LKUSHRISRCEIRO-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((4ethyl5(5678tetrahydronaphthalen2yl)124triazol3yl)sulfanyl)ethanone
1(34dihydroisoquinolin2(1H)yl)2((4ethyl5(5678tetrahydronaphthalen2yl)4H124triazol3yl)sulfanyl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC5=C(CCCC5)C=C4
InChI=1SC25H28N4OSc122924(21121118735920(18)1521)262725(29)311723(30)281413198461022(19)1628h468101215H2357913141617H21H3
MFCD09269836
ZINC000009193314
ZINC09193314
ZINC9193314
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