Vitas-M small molecule compound
5-[1-(4-chloro-1H-pyrazol-1-yl)propyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311226
SMILES CCC(c1nnc(n1c1cnn(c1)Cc1ccc(cc1)C)S)n1ncc(c1)Cl
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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 C19H20ClN7S MW 413.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN7S/c1-3-17(26-11-15(20)8-22-26)18-23-24-19(28)27(18)16-9-21-25(12-16)10-14-6-4-13(2)5-7-14/h4-9,11-12,17H,3,10H2,1-2H3,(H,24,28)InChIKey
NFEHTLVFRURJSS-UHFFFAOYSA-NSynonyms
1005667-53-71005667537
3(1(4chloropyrazol1yl)propyl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(1(4chloro1Hpyrazol1yl)propyl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CCC(C1=NNC(=S)N1C2=CN(N=C2)CC3=CC=C(C=C3)C)N4C=C(C=N4)Cl
InChI=1SC19H20ClN7Sc1317(261115(20)82226)18232419(28)27(18)1692125(1216)10146413(2)5714h49111217H310H212H3(H2428)
MFCD04059452
ZINC000002808772
ZINC000002808773
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