Vitas-M small molecule compound
4-{[(E)-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173868
SMILES COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)/C=N/n1c(C)nnc1S
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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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-15-24-25-21(29)26(15)23-13-16-6-11-20(27-5)17(12-16)14-28-19-9-7-18(8-10-19)22(2,3)4/h6-13H,14H2,1-5H3,(H,25,29)/b23-13+InChIKey
OSZHSQCBXJKQQU-YDZHTSKRSA-NSynonyms
828281-98-74(((E)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(3((4tertbutylphenoxy)methyl)4methoxyphenyl)methylideneamino)3methyl1H124triazole5thione
828281987
CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)C(C)(C)C
COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)C=Nn1c(C)nnc1S
InChI=1SC22H26N4O2Sc115242521(29)26(15)23131661120(275)17(1216)1428199718(81019)22(23)4h613H14H215H3(H2529)b2313+
MFCD04056419
ZINC000002791391
ZINC35679256
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