Vitas-M small molecule compound
1,5-dimethyl-2-phenyl-4-(2,2,2-trichloro-1-hydroxyethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL406464
SMILES OC(C(Cl)(Cl)Cl)c1c(C)n(n(c1=O)c1ccccc1)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 C13H13Cl3N2O2 MW 335.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13Cl3N2O2/c1-8-10(11(19)13(14,15)16)12(20)18(17(8)2)9-6-4-3-5-7-9/h3-7,11,19H,1-2H3InChIKey
CBWIRKNOTYTLFV-UHFFFAOYSA-NSynonyms
66379-85-915dimethyl2phenyl4(222trichloro1hydroxyethyl)12dihydro3Hpyrazol3one
15DIMETHYL2PHENYL4(222TRICHLORO1HYDROXYETHYL)PYRAZOL3ONE
15DIMETHYL4(1HYDROXY222TRICHLOROETHYL)2PHENYL4PYRAZOLIN3ONE
15DIMETHYL42PHENYL4PYRAZOLIN3ONE
66379859
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C(Cl)(Cl)Cl)O
InChI=1SC13H13Cl3N2O2c1810(11(19)13(1415)16)12(20)18(17(8)2)9643579h371119H12H3
MFCD00085822
ZINC000002159902
ZINC000002159905
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