Vitas-M small molecule compound
4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL055077
SMILES COc1ccc(cc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)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 C19H15BrN6OS MW 455.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN6OS/c1-27-17-8-7-14(20)9-13(17)11-21-26-18(24-25-19(26)28)16-10-15(22-23-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)(H,25,28)/b21-11+InChIKey
YPWUGDDHZJCZHM-SRZZPIQSSA-NSynonyms
1037565-33-5(E)4((5bromo2methoxybenzylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
1037565335
4(((E)(5bromo2methoxyphenyl)methylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(5BROMO2METHOXYPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
COC1=C(C=C(C=C1)Br)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
COc1ccc(cc1C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1)Br
COc1ccc(cc1C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1)Br
InChI=1SC19H15BrN6OSc127178714(20)913(17)11212618(242519(26)28)161015(222316)125324612h211H1H3(H2223)(H2528)b2111+
MFCD05728391
ZINC000009292630
ZINC01242764
ZINC1242764
Check stock
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Check stock on Vitas-MAvailable files
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