Vitas-M small molecule compound
5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL397589
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1C(Cn1nc(c(c1C)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 C21H24ClN7S MW 441.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN7S/c1-13-5-7-17(8-6-13)11-27-12-18(9-23-27)29-20(24-25-21(29)30)14(2)10-28-16(4)19(22)15(3)26-28/h5-9,12,14H,10-11H2,1-4H3,(H,25,30)InChIKey
ZAMFTMSCYUGLQV-UHFFFAOYSA-NSynonyms
1005674-11-21005674112
3(1(4chloro35dimethylpyrazol1yl)propan2yl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(1(4CHLORO35DIMETHYL1HPYRAZOL1YL)PROPAN2YL)4(1(4METHYLBENZYL)1HPYRAZOL4YL)4H124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C(C)CN4C(=C(C(=N4)C)Cl)C
InChI=1SC21H24ClN7Sc1135717(8613)11271218(92327)2920(242521(29)30)14(2)102816(4)19(22)15(3)2628h591214H1011H214H3(H2530)
MFCD04137800
ZINC000002809287
ZINC000002809288
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