Vitas-M small molecule compound
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}propan-1-one
Catalog ID
STL390259
SMILES O=C(N1CCN(CC1)Cc1c(C)nn(c1C)C)CCn1nc(c(c1C1CC1)Cl)C(F)(F)F
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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 C21H28ClF3N6O MW 472.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28ClF3N6O/c1-13-16(14(2)28(3)26-13)12-29-8-10-30(11-9-29)17(32)6-7-31-19(15-4-5-15)18(22)20(27-31)21(23,24)25/h15H,4-12H2,1-3H3InChIKey
IZGHSNIZSJSSIH-UHFFFAOYSA-NSynonyms
3(4chloro5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)1(4((135trimethyl1Hpyrazol4yl)methyl)piperazin1yl)propan1one
3(4CHLORO5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOL1YL)1(4((135TRIMETHYLPYRAZOL4YL)METHYL)PIPERAZIN1YL)PROPAN1ONE
CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C(F)(F)F)Cl)C4CC4
InChI=1SC21H28ClF3N6Oc11316(14(2)28(3)2613)122981030(11929)17(32)673119(154515)18(22)20(2731)21(2324)25h15H412H213H3
MFCD04042579
ZINC000022708768
ZINC22708768
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