Vitas-M small molecule compound
2-({4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK211514
SMILES O=C(N1CCN(CC1)c1ccccc1)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 C26H31N5O2S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2S/c1-29-24(18-33-23-12-11-20-7-5-6-8-21(20)17-23)27-28-26(29)34-19-25(32)31-15-13-30(14-16-31)22-9-3-2-4-10-22/h2-4,9-12,17H,5-8,13-16,18-19H2,1H3InChIKey
SKZGTGUIIDWXJR-UHFFFAOYSA-NSynonyms
2((4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
2((4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC5=C(CCCC5)C=C4
InChI=1SC26H31N5O2Sc12924(183323121120756821(20)1723)272826(29)341925(32)31151330(141631)2293241022h2491217H5813161819H21H3
MFCD04402938
ZINC000009261322
ZINC09261322
ZINC9261322
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