Vitas-M small molecule compound

5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STL398584
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1Cn1nc(cc1C)C(F)F)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 C21H23F2N7S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N7S/c1-12-5-7-16(8-6-12)10-29-15(4)19(14(3)26-29)30-18(24-25-21(30)31)11-28-13(2)9-17(27-28)20(22)23/h5-9,20H,10-11H2,1-4H3,(H,25,31)
InChIKey
MGOHFLFFARGSDN-UHFFFAOYSA-N
Synonyms
1005650-87-2
1005650872
3((3(difluoromethyl)5methylpyrazol1yl)methyl)4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5((3(DIFLUOROMETHYL)5METHYL1HPYRAZOL1YL)METHYL)4(35DIMETHYL1(4METHYLBENZYL)1HPYRAZOL4YL)4H124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=NNC3=S)CN4C(=CC(=N4)C(F)F)C)C
InChI=1SC21H23F2N7Sc1125716(8612)102915(4)19(14(3)2629)3018(242521(30)31)112813(2)917(2728)20(22)23h5920H1011H214H3(H2531)
MFCD04139930
ZINC000002730692
ZINC2730692

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Available files

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