Vitas-M small molecule compound
methyl 5-hydroxy-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Catalog ID
STK059035
SMILES COC(=O)N1N=C(CC1(O)C(F)(F)F)C(C)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 C9H13F3N2O3 MW 254.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13F3N2O3/c1-5(2)6-4-8(16,9(10,11)12)14(13-6)7(15)17-3/h5,16H,4H2,1-3H3InChIKey
YJAOVZBBCPPJHD-UHFFFAOYSA-NSynonyms
3ISOPROPYL5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLICACIDMETHYLESTER
CC(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)OC
COC(=O)N1N=C(CC1(O)C(F)(F)F)C(C)C
InChI=1SC9H13F3N2O3c15(2)648(169(1011)12)14(136)7(15)173h516H4H213H3
METHYL5HYDROXY3(1METHYLETHYL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
METHYL5HYDROXY3(PROPAN2YL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
METHYL5HYDROXY3PROPAN2YL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
MFCD03724702
STK059035
ZINC000000249003
ZINC000000249008
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