Vitas-M small molecule compound
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK309543
SMILES CCn1ncc(c1C)n1c(S)nnc1Cn1nc(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 C14H18BrN7S MW 396.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18BrN7S/c1-5-20-9(3)11(6-16-20)22-12(17-18-14(22)23)7-21-10(4)13(15)8(2)19-21/h6H,5,7H2,1-4H3,(H,18,23)InChIKey
NPCDRONCWOWTKA-UHFFFAOYSA-NSynonyms
1005561-63-61005561636
3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)4(1ETHYL5METHYLPYRAZOL4YL)1H124TRIAZOLE5THIONE
5((4bromo35dimethyl1Hpyrazol1yl)methyl)4(1ethyl5methyl1Hpyrazol4yl)4H124triazole3thiol
CCN1C(=C(C=N1)N2C(=NNC2=S)CN3C(=C(C(=N3)C)Br)C)C
InChI=1SC14H18BrN7Sc15209(3)11(61620)2212(171814(22)23)72110(4)13(15)8(2)1921h6H57H214H3(H1823)
MFCD04052960
ZINC000008339753
ZINC8339753
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