Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-({4-(prop-2-en-1-yl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK245722
SMILES C=CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1COc1ccc2c(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 C27H30N4O2S MW 474.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O2S/c1-2-14-31-25(18-33-24-12-11-20-7-3-5-9-22(20)16-24)28-29-27(31)34-19-26(32)30-15-13-21-8-4-6-10-23(21)17-30/h2,4,6,8,10-12,16H,1,3,5,7,9,13-15,17-19H2InChIKey
WSDRPVJWOSHUMH-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((4prop2enyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)ethanone
1(34dihydroisoquinolin2(1H)yl)2((4(prop2en1yl)5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)ethanone
C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)COC4=CC5=C(CCCC5)C=C4
InChI=1SC27H30N4O2Sc12143125(183324121120735922(20)1624)282927(31)341926(32)301513218461023(21)1730h2468101216H1357913151719H2
MFCD08670411
ZINC000009327921
ZINC09327921
ZINC9327921
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