Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK245775
SMILES O=C(N1CCc2c(C1)cccc2)CSc1nnc(n1C)COc1ccc2c(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 C25H28N4O2S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S/c1-28-23(16-31-22-11-10-18-6-2-4-8-20(18)14-22)26-27-25(28)32-17-24(30)29-13-12-19-7-3-5-9-21(19)15-29/h3,5,7,9-11,14H,2,4,6,8,12-13,15-17H2,1H3InChIKey
JYJKJSSQOJPBPS-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)ethanone
1(34dihydroisoquinolin2(1H)yl)2((4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)COC4=CC5=C(CCCC5)C=C4
InChI=1SC25H28N4O2Sc12823(163122111018624820(18)1422)262725(28)321724(30)29131219735921(19)1529h35791114H246812131517H21H3
MFCD08670491
ZINC000009328085
ZINC09328085
ZINC9328085
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