Vitas-M small molecule compound
5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311456
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1C(n1ncc(c1)Cl)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 C18H18ClN7S MW 399.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN7S/c1-12-3-5-14(6-4-12)9-24-11-16(8-20-24)26-17(22-23-18(26)27)13(2)25-10-15(19)7-21-25/h3-8,10-11,13H,9H2,1-2H3,(H,23,27)InChIKey
RHMFGLZGUWCLIS-UHFFFAOYSA-NSynonyms
1005556-68-21005556682
3(1(4chloropyrazol1yl)ethyl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(1(4chloro1Hpyrazol1yl)ethyl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C(C)N4C=C(C=N4)Cl
InChI=1SC18H18ClN7Sc1123514(6412)9241116(82024)2617(222318(26)27)13(2)251015(19)72125h38101113H9H212H3(H2327)
MFCD04137932
ZINC000002809425
ZINC000002809426
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