Vitas-M small molecule compound

5-[3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-7H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8(9H)-imine

Catalog ID
STL447372
SMILES N=C1NN=C(n2c(C1)ncn2)N1N=C(CC1C(F)(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 C10H11F3N8 MW 300.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H11F3N8/c1-5-2-6(10(11,12)13)20(19-5)9-18-17-7(14)3-8-15-4-16-21(8)9/h4,6H,2-3H2,1H3,(H2,14,17)
InChIKey
XYXPKVTYVVLULE-UHFFFAOYSA-N
Synonyms

5(3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)7H(124)triazolo(15d)(124)triazepin8(9H)imine
5(5METHYL3(TRIFLUOROMETHYL)34DIHYDROPYRAZOL2YL)9H(124)TRIAZOLO(15D)(124)TRIAZEPIN8AMINE
CC1=NN(C(C1)C(F)(F)F)C2=NN=C(CC3=NC=NN32)N
InChI=1SC10H11F3N8c1526(10(1112)13)20(195)918177(14)381541621(8)9h46H23H21H3(H21417)
MFCD06244558
ZINC000004501669
ZINC000005243246

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.