Vitas-M small molecule compound
5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK302216
SMILES COc1ccccc1n1c(nnc1S)CCn1nc(c(c1C)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 C16H18BrN5OS MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN5OS/c1-10-15(17)11(2)21(20-10)9-8-14-18-19-16(24)22(14)12-6-4-5-7-13(12)23-3/h4-7H,8-9H2,1-3H3,(H,19,24)InChIKey
VCTJKFKVZDECBI-UHFFFAOYSA-NSynonyms
512816-75-03(2(4BROMO35DIMETHYLPYRAZOL1YL)ETHYL)4(2METHOXYPHENYL)1H124TRIAZOLE5THIONE
5(2(4bromo35dimethyl1Hpyrazol1yl)ethyl)4(2methoxyphenyl)4H124triazole3thiol
512816750
CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC=CC=C3OC)C)Br
InChI=1SC16H18BrN5OSc11015(17)11(2)21(2010)9814181916(24)22(14)12645713(12)233h47H89H213H3(H1924)
MFCD03467707
ZINC000005425036
ZINC5425036
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