Vitas-M small molecule compound
4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK559116
SMILES COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccc(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)/b22-12+InChIKey
CGUCMZYRDIPULM-WSDLNYQXSA-NSynonyms
380455-47-0380455470
4(((E)(5bromo2methoxyphenyl)methylidene)amino)5(4tertbutylphenyl)24dihydro3H124triazole3thione
4((E)(5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)3(4TERTBUTYLPHENYL)1H124TRIAZOLE5THIONE
COc1ccc(cc1C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C)Br
InChI=1SC20H21BrN4OSc120(23)157513(6815)18232419(27)25(18)2212141116(21)91017(14)264h512H14H3(H2427)b2212+
MFCD03799010
ZINC000002358307
ZINC12464320
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