Vitas-M small molecule compound
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STL391420
SMILES O=C(N1N=CCC1(O)C(F)(F)F)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 C14H13ClF6N4O2 MW 418.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClF6N4O2/c15-9-10(7-1-2-7)24(23-11(9)13(16,17)18)6-3-8(26)25-12(27,4-5-22-25)14(19,20)21/h5,7,27H,1-4,6H2InChIKey
WRNCKWSGWHKDHV-UHFFFAOYSA-NSynonyms
1005672-29-61005672296
3(4chloro5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)1(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)propan1one
3(4chloro5cyclopropyl3(trifluoromethyl)pyrazol1yl)1(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)propan1one
C1CC1C2=C(C(=NN2CCC(=O)N3C(CC=N3)(C(F)(F)F)O)C(F)(F)F)Cl
InChI=1SC14H13ClF6N4O2c15910(7127)24(2311(9)13(1617)18)638(26)2512(27452225)14(1920)21h5727H146H2
MFCD04059817
ZINC000017091658
ZINC000017091659
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