Vitas-M small molecule compound
5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK312027
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1C(n1ncc(c1)Cl)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 C20H22ClN7S MW 427.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN7S/c1-12-5-7-16(8-6-12)10-27-14(3)18(13(2)25-27)28-19(23-24-20(28)29)15(4)26-11-17(21)9-22-26/h5-9,11,15H,10H2,1-4H3,(H,24,29)InChIKey
JSAZLYCDHXKMKH-UHFFFAOYSA-NSynonyms
1005629-81-11005629811
3(1(4chloropyrazol1yl)ethyl)4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(1(4chloro1Hpyrazol1yl)ethyl)4(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=NNC3=S)C(C)N4C=C(C=N4)Cl)C
InChI=1SC20H22ClN7Sc1125716(8612)102714(3)18(13(2)2527)2819(232420(28)29)15(4)261117(21)92226h591115H10H214H3(H2429)
MFCD04140646
ZINC000002731472
ZINC000002731473
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