Vitas-M small molecule compound
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173821
SMILES Brc1ccc2c(c1)ccc(c2)OCc1nnc(n1CCc1ccccc1)S
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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 C21H18BrN3OS MW 440.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3OS/c22-18-8-6-17-13-19(9-7-16(17)12-18)26-14-20-23-24-21(27)25(20)11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,24,27)InChIKey
RPYYVXVGOXERFR-UHFFFAOYSA-NSynonyms
828283-73-43((6bromonaphthalen2yl)oxymethyl)4(2phenylethyl)1H124triazole5thione
3((6BROMONAPHTHALEN2YL)OXYMETHYL)4PHENETHYL1H124TRIAZOLE5THIONE
5(((6bromonaphthalen2yl)oxy)methyl)4(2phenylethyl)4H124triazole3thiol
828283734
C1=CC=C(C=C1)CCN2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br
InChI=1SC21H18BrN3OSc221886171319(9716(17)1218)261420232421(27)25(20)1110154213515h191213H101114H2(H2427)
MFCD04047936
ZINC000002791615
ZINC2791615
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