Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[4-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK279421
SMILES CCn1c(SCC(=O)N2CCCCCC2)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 C22H30N4OS MW 398.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4OS/c1-2-26-21(19-12-11-17-9-5-6-10-18(17)15-19)23-24-22(26)28-16-20(27)25-13-7-3-4-8-14-25/h11-12,15H,2-10,13-14,16H2,1H3InChIKey
UWVUDCYAKIGWMR-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((4ethyl5(5678tetrahydronaphthalen2yl)124triazol3yl)sulfanyl)ethanone
1(azepan1yl)2((4ethyl5(5678tetrahydronaphthalen2yl)4H124triazol3yl)sulfanyl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC4=C(CCCC4)C=C3
InChI=1SC22H30N4OSc122621(191211179561018(17)1519)232422(26)281620(27)251373481425h111215H210131416H21H3
MFCD09269859
ZINC000009193370
ZINC09193370
ZINC9193370
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