Vitas-M small molecule compound
5-[1-(4-bromo-1H-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307287
SMILES CCc1ccccc1n1c(S)nnc1C(Cn1ncc(c1)Br)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 C16H18BrN5S MW 392.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN5S/c1-3-12-6-4-5-7-14(12)22-15(19-20-16(22)23)11(2)9-21-10-13(17)8-18-21/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)InChIKey
PWJPKLYYHIGWEW-UHFFFAOYSA-NSynonyms
1005684-21-81005684218
3(1(4BROMOPYRAZOL1YL)PROPAN2YL)4(2ETHYLPHENYL)1H124TRIAZOLE5THIONE
5(1(4bromo1Hpyrazol1yl)propan2yl)4(2ethylphenyl)4H124triazole3thiol
CCC1=CC=CC=C1N2C(=NNC2=S)C(C)CN3C=C(C=N3)Br
InChI=1SC16H18BrN5Sc1312645714(12)2215(192016(22)23)11(2)9211013(17)81821h481011H39H212H3(H2023)
MFCD04052776
ZINC000006419117
ZINC000006419119
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