Vitas-M small molecule compound
5-{3-[(4-bromophenoxy)methyl]phenyl}-4-(2-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL176618
SMILES CCOc1ccccc1n1c(S)nnc1c1cccc(c1)COc1ccc(cc1)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 C23H20BrN3O2S MW 482.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3O2S/c1-2-28-21-9-4-3-8-20(21)27-22(25-26-23(27)30)17-7-5-6-16(14-17)15-29-19-12-10-18(24)11-13-19/h3-14H,2,15H2,1H3,(H,26,30)InChIKey
OQXXNTUPXYGFSZ-UHFFFAOYSA-NSynonyms
828291-85-63(3((4BROMOPHENOXY)METHYL)PHENYL)4(2ETHOXYPHENYL)1H124TRIAZOLE5THIONE
5(3((4bromophenoxy)methyl)phenyl)4(2ethoxyphenyl)4H124triazole3thiol
828291856
CCOC1=CC=CC=C1N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)Br
InChI=1SC23H20BrN3O2Sc122821943820(21)2722(252623(27)30)1775616(1417)152919121018(24)111319h314H215H21H3(H2630)
MFCD04049750
ZINC000002793546
ZINC2793546
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