Vitas-M small molecule compound
4-[(5-bromo-2-methoxybenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK104176
SMILES COc1ccc(cc1/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)C)Br
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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 C20H21BrN4OS MW 445.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4OS/c1-20(2,3)15-7-5-13(6-8-15)18-23-24-19(27)25(18)22-12-14-11-16(21)9-10-17(14)26-4/h5-12H,1-4H3,(H,24,27)InChIKey
CGUCMZYRDIPULM-UHFFFAOYSA-NSynonyms
(E)4((5bromo2methoxybenzylidene)amino)5(4(tertbutyl)phenyl)4H124triazole3thiol
4((1E)2(5BROMO2METHOXYPHENYL)1AZAVINYL)5(4(TERTBUTYL)PHENYL)124TRIAZOLE3THIOL
4((5BROMO2METHOXYBENZYLIDENE)AMINO)5(4TERTBUTYLPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
4((5BROMO2METHOXYBENZYLIDENE)AMINO)5(4TERTBUTYLPHENYL)4H124TRIAZOLE3THIOL
4((5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)3(4TERTBUTYLPHENYL)1H124TRIAZOLE5THIONE
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)Br)OC
COc1ccc(cc1C=Nn1c(S)nnc1c1ccc(cc1)C(C)(C)C)Br
InChI=1SC20H21BrN4OSc120(23)157513(6815)18232419(27)25(18)2212141116(21)91017(14)264h512H14H3(H2427)
MFCD03153593
ZINC000239030688
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