Vitas-M small molecule compound
4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK031099
SMILES CCOc1cc(cc(c1OCC)OCC)c1nnc(n1CCc1ccccc1)S
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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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-4-26-18-14-17(15-19(27-5-2)20(18)28-6-3)21-23-24-22(29)25(21)13-12-16-10-8-7-9-11-16/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,24,29)InChIKey
KWCBZALJGIRASY-UHFFFAOYSA-NSynonyms
525581-63-94(2phenylethyl)3(345triethoxyphenyl)1H124triazole5thione
4(2PHENYLETHYL)5(345TRIETHOXYPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
4(2PHENYLETHYL)5(345TRIETHOXYPHENYL)4H124TRIAZOLE3THIOL
4PHENETHYL3(345TRIETHOXYPHENYL)1H124TRIAZOLE5THIONE
4phenethyl5(345triethoxyphenyl)4H124triazole3thiol
CCOC1=CC(=CC(=C1OCC)OCC)C2=NNC(=S)N2CCC3=CC=CC=C3
CCOc1cc(cc(c1OCC)OCC)c1nnc(n1CCc1ccccc1)S
InChI=1SC22H27N3O3Sc1426181417(1519(2752)20(18)2863)21232422(29)25(21)131216108791116h7111415H461213H213H3(H2429)
MFCD03194547
STK031099
ZINC000002221201
ZINC02221201
ZINC2221201
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