Vitas-M small molecule compound

4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK589876
SMILES COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccccc1F)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 C16H12BrFN4OS MW 407.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrFN4OS/c1-23-14-7-6-11(17)8-10(14)9-19-22-15(20-21-16(22)24)12-4-2-3-5-13(12)18/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey
MGELXZLYUXXNPN-DJKKODMXSA-N
Synonyms
585559-35-9
4(((E)(5bromo2methoxyphenyl)methylidene)amino)5(2fluorophenyl)24dihydro3H124triazole3thione
4((1E)2(5BROMO2METHOXYPHENYL)1AZAVINYL)5(2FLUOROPHENYL)124TRIAZOLE3THIOL
4((5BROMO2METHOXYBENZYLIDENE)AMINO)3(2FLUOROPHENYL)1H124TRIAZOLE5(4H)THIONE
4((E)(5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)3(2FLUOROPHENYL)1H124TRIAZOLE5THIONE
585559359
COC1=C(C=C(C=C1)Br)C=NN2C(=NNC2=S)C3=CC=CC=C3F
COc1ccc(cc1C=Nn1c(=S)(nH)nc1c1ccccc1F)Br
InChI=1SC16H12BrFN4OSc123147611(17)810(14)9192215(202116(22)24)12423513(12)18h29H1H3(H2124)b199+
MFCD07209057
ZINC000005893739
ZINC2384048

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Available files

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