Vitas-M small molecule compound
5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK434377
SMILES Sc1nnc(n1C(c1ccccc1)C)c1csc2c1CCC(C2)C(C)(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 C22H27N3S2 MW 397.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3S2/c1-14(15-8-6-5-7-9-15)25-20(23-24-21(25)26)18-13-27-19-12-16(22(2,3)4)10-11-17(18)19/h5-9,13-14,16H,10-12H2,1-4H3,(H,24,26)InChIKey
QGSCAHUGMPRDBW-UHFFFAOYSA-NSynonyms
3(6tertbutyl4567tetrahydro1benzothiophen3yl)4(1phenylethyl)1H124triazole5thione
5(6tertbutyl4567tetrahydro1benzothiophen3yl)4(1phenylethyl)4H124triazole3thiol
CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CSC4=C3CCC(C4)C(C)(C)C
InChI=1SC22H27N3S2c114(158657915)2520(232421(25)26)181327191216(22(23)4)101117(18)19h59131416H1012H214H3(H2426)
MFCD03942575
ZINC000017081372
ZINC000017081375
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