Vitas-M small molecule compound
2-{[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Catalog ID
STL388272
SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nnnn1c1ccc(c(c1)C)C
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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 C21H23FN6OS MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN6OS/c1-15-3-6-19(13-16(15)2)28-21(23-24-25-28)30-14-20(29)27-11-9-26(10-12-27)18-7-4-17(22)5-8-18/h3-8,13H,9-12,14H2,1-2H3InChIKey
GORBDCQUDGBBIL-UHFFFAOYSA-NSynonyms
2((1(34dimethylphenyl)1Htetrazol5yl)sulfanyl)1(4(4fluorophenyl)piperazin1yl)ethanone
2(1(34DIMETHYLPHENYL)1HTETRAZOL5YLTHIO)1(4(4FLUOROPHENYL)PIPERAZIN1YL)ETHANONE
2(1(34DIMETHYLPHENYL)TETRAZOL5YL)SULFANYL1(4(4FLUOROPHENYL)PIPERAZIN1YL)ETHANONE
CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C
InChI=1SC21H23FN6OSc1153619(1316(15)2)2821(23242528)301420(29)2711926(101227)187417(22)5818h3813H91214H212H3
MFCD03699206
ZINC000001126834
ZINC01126834
ZINC1126834
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