Vitas-M small molecule compound
ethyl 5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Catalog ID
STK027289
SMILES CCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)OCC
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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 C12H19F3N2O3 MW 296.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19F3N2O3/c1-3-5-6-7-9-8-11(19,12(13,14)15)17(16-9)10(18)20-4-2/h19H,3-8H2,1-2H3InChIKey
VHRGGHGZPXFWCN-UHFFFAOYSA-NSynonyms
CCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OCC
CCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)OCC
ETHYL5HYDROXY3PENTYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
ETHYL5HYDROXY3PENTYL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
InChI=1SC12H19F3N2O3c135679811(1912(1314)15)17(169)10(18)2042h19H38H212H3
MFCD02045594
STK027289
ZINC000004601969
ZINC000004601971
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