Vitas-M small molecule compound
1-(4-bromophenyl)-2-({4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK211513
SMILES Brc1ccc(cc1)C(=O)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 C22H22BrN3O2S MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O2S/c1-26-21(13-28-19-11-8-15-4-2-3-5-17(15)12-19)24-25-22(26)29-14-20(27)16-6-9-18(23)10-7-16/h6-12H,2-5,13-14H2,1H3InChIKey
YYZRGTWIWSUHBG-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2((4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)ethanone
1(4bromophenyl)2((4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)COC3=CC4=C(CCCC4)C=C3
InChI=1SC22H22BrN3O2Sc12621(13281911815423517(15)1219)242522(26)291420(27)166918(23)10716h612H251314H21H3
MFCD04389752
ZINC000009261318
ZINC09261318
ZINC9261318
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