Vitas-M small molecule compound
4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-[1-(5-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK312016
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1C(n1nccc1C)C)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 C21H25N7S MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7S/c1-13-6-8-18(9-7-13)12-26-16(4)19(15(3)25-26)27-20(23-24-21(27)29)17(5)28-14(2)10-11-22-28/h6-11,17H,12H2,1-5H3,(H,24,29)InChIKey
YCFPSDNJIOOQQT-UHFFFAOYSA-NSynonyms
1005676-79-81005676798
4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3(1(5methylpyrazol1yl)ethyl)1H124triazole5thione
4(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)5(1(5methyl1Hpyrazol1yl)ethyl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=NNC3=S)C(C)N4C(=CC=N4)C)C
InChI=1SC21H25N7Sc1136818(9713)122616(4)19(15(3)2526)2720(232421(27)29)17(5)2814(2)10112228h61117H12H215H3(H2429)
MFCD04140629
ZINC000002731453
ZINC000002731454
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