Vitas-M small molecule compound
3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Catalog ID
STK807657
SMILES COc1ccc(cc1OC)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1
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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 C24H20F3N3O2S MW 471.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F3N3O2S/c1-31-20-12-11-17(13-21(20)32-2)22-28-29-23(33-15-16-7-4-3-5-8-16)30(22)19-10-6-9-18(14-19)24(25,26)27/h3-14H,15H2,1-2H3InChIKey
MYBDROQMRSDWFA-UHFFFAOYSA-NSynonyms
12DIMETHOXY4(5(PHENYLMETHYLTHIO)4(3(TRIFLUOROMETHYL)PHENYL)(124TRIAZOL3YL))BENZENE
3(benzylsulfanyl)5(34dimethoxyphenyl)4(3(trifluoromethyl)phenyl)4H124triazole
3BENZYLSULFANYL5(34DIMETHOXYPHENYL)4(3(TRIFLUOROMETHYL)PHENYL)124TRIAZOLE
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC=CC=C4)OC
InChI=1SC24H20F3N3O2Sc13120121117(1321(20)322)22282923(3315167435816)30(22)19106918(1419)24(2526)27h314H15H212H3
MFCD05719016
ZINC000002586481
ZINC02586481
ZINC2586481
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