Vitas-M small molecule compound
4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL041370
SMILES COc1ccc(cc1Br)/C=N/n1c(S)nnc1c1n[nH]c(c1)C
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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 C14H13BrN6OS MW 393.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN6OS/c1-8-5-11(18-17-8)13-19-20-14(23)21(13)16-7-9-3-4-12(22-2)10(15)6-9/h3-7H,1-2H3,(H,17,18)(H,20,23)/b16-7+InChIKey
VWVXHNHJWTUXJE-FRKPEAEDSA-NSynonyms
1037566-48-5(E)4((3bromo4methoxybenzylidene)amino)5(3methyl1Hpyrazol5yl)4H124triazole3thiol
1037566485
4(((E)(3bromo4methoxyphenyl)methylidene)amino)5(5methyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(3BROMO4METHOXYPHENYL)1AZAVINYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(3BROMO4METHOXYPHENYL)METHYLIDENEAMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OC)Br
COc1ccc(cc1Br)C=Nn1c(S)nnc1c1(nH)nc(c1)C
COc1ccc(cc1Br)C=Nn1c(S)nnc1c1n(nH)c(c1)C
InChI=1SC14H13BrN6OSc18511(18178)13192014(23)21(13)16793412(222)10(15)69h37H12H3(H1718)(H2023)b167+
MFCD05727645
ZINC000005625914
ZINC33330541
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