Vitas-M small molecule compound
4-(4-chlorobenzyl)-5-(3,4-diethoxybenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448385
SMILES CCOc1cc(ccc1OCC)Cc1nnc(n1Cc1ccc(cc1)Cl)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 C20H22ClN3O2S MW 403.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O2S/c1-3-25-17-10-7-15(11-18(17)26-4-2)12-19-22-23-20(27)24(19)13-14-5-8-16(21)9-6-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,27)InChIKey
HEBPFUIWNIIELH-UHFFFAOYSA-NSynonyms
4((4chlorophenyl)methyl)3((34diethoxyphenyl)methyl)1H124triazole5thione
4(4chlorobenzyl)5(34diethoxybenzyl)4H124triazole3thiol
5((34DIETHOXYPHENYL)METHYL)4((4CHLOROPHENYL)METHYL)124TRIAZOLE3THIOL
CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2CC3=CC=C(C=C3)Cl)OCC
InChI=1SC20H22ClN3O2Sc13251710715(1118(17)2642)1219222320(27)24(19)13145816(21)9614h511H341213H212H3(H2327)
MFCD04140979
ZINC000017082776
ZINC17082776
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