Vitas-M small molecule compound
4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311939
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1C(n1ccc(n1)C)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)12-27-16(4)19(15(3)25-27)28-20(22-23-21(28)29)17(5)26-11-10-14(2)24-26/h6-11,17H,12H2,1-5H3,(H,23,29)InChIKey
VZZLVEQAJAJGFQ-UHFFFAOYSA-NSynonyms
1005675-20-61005675206
4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3(1(3methylpyrazol1yl)ethyl)1H124triazole5thione
4(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)5(1(3methyl1Hpyrazol1yl)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)122716(4)19(15(3)2527)2820(222321(28)29)17(5)26111014(2)2426h61117H12H215H3(H2329)
MFCD04140405
ZINC000002731216
ZINC000002731217
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