Vitas-M small molecule compound
4-{[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL054672
SMILES CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cc(Br)c(c(c1)OC)O
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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 C18H17BrN4O3S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN4O3S/c1-3-26-13-6-4-12(5-7-13)17-21-22-18(27)23(17)20-10-11-8-14(19)16(24)15(9-11)25-2/h4-10,24H,3H2,1-2H3,(H,22,27)/b20-10+InChIKey
HQKTUDOVOIFOQA-KEBDBYFISA-NSynonyms
613250-23-04(((E)(3bromo4hydroxy5methoxyphenyl)methylidene)amino)5(4ethoxyphenyl)24dihydro3H124triazole3thione
613250230
CCOc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1cc(Br)c(c(c1)OC)O
MFCD05727717
ZINC000001479036
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