Vitas-M small molecule compound
4-{[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK112397
SMILES Brc1ccc(cc1)COc1ccccc1/C=N/n1c(S)nnc1c1ccccc1
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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 C22H17BrN4OS MW 465.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4OS/c23-19-12-10-16(11-13-19)15-28-20-9-5-4-8-18(20)14-24-27-21(25-26-22(27)29)17-6-2-1-3-7-17/h1-14H,15H2,(H,26,29)/b24-14+InChIKey
XKAKIVCHQFBDJT-ZVHZXABRSA-NSynonyms
4(((E)(2((4BROMOBENZYL)OXY)PHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((E)(2((4bromophenyl)methoxy)phenyl)methylideneamino)3phenyl1H124triazole5thione
Brc1ccc(cc1)COc1ccccc1C=Nn1c(S)nnc1c1ccccc1
C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3OCC4=CC=C(C=C4)Br
InChI=1SC22H17BrN4OSc2319121016(111319)152820954818(20)14242721(252622(27)29)176213717h114H15H2(H2629)b2414+
MFCD05134065
ZINC000009296300
ZINC96624534
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