Vitas-M small molecule compound
5-{4-[(2-bromophenoxy)methyl]phenyl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306772
SMILES COc1cc(OC)ccc1n1c(S)nnc1c1ccc(cc1)COc1ccccc1Br
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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 C23H20BrN3O3S MW 498.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3O3S/c1-28-17-11-12-19(21(13-17)29-2)27-22(25-26-23(27)31)16-9-7-15(8-10-16)14-30-20-6-4-3-5-18(20)24/h3-13H,14H2,1-2H3,(H,26,31)InChIKey
FWWLTLSOHINMMJ-UHFFFAOYSA-NSynonyms
828284-64-63(4((2BROMOPHENOXY)METHYL)PHENYL)4(24DIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
5(4((2bromophenoxy)methyl)phenyl)4(24dimethoxyphenyl)4H124triazole3thiol
828284646
COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)COC4=CC=CC=C4Br)OC
InChI=1SC23H20BrN3O3Sc12817111219(21(1317)292)2722(252623(27)31)169715(81016)143020643518(20)24h313H14H212H3(H2631)
MFCD04053815
ZINC000002791831
ZINC2791831
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