Vitas-M small molecule compound
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STK311247
SMILES O=C(N1N=CCC1(O)C(F)(F)F)CCn1cc(c(n1)[N+](=O)[O-])Cl
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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 C10H9ClF3N5O4 MW 355.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9ClF3N5O4/c11-6-5-17(16-8(6)19(22)23)4-1-7(20)18-9(21,2-3-15-18)10(12,13)14/h3,5,21H,1-2,4H2InChIKey
PBYFIZKXSMSDJK-UHFFFAOYSA-NSynonyms
1005620-49-41005620494
3(4chloro3nitro1Hpyrazol1yl)1(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)propan1one
3(4chloro3nitropyrazol1yl)1(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)propan1one
C1C=NN(C1(C(F)(F)F)O)C(=O)CCN2C=C(C(=N2)(N+)(=O)(O))Cl
InChI=1SC10H9ClF3N5O4c116517(168(6)19(22)23)417(20)189(21231518)10(1213)14h3521H124H2
MFCD04059535
O=C(N1N=CCC1(O)C(F)(F)F)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000006828414
ZINC000006828416
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