Vitas-M small molecule compound
{3-[(4-ethoxyphenoxy)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STL176330
SMILES CCOc1ccc(cc1)OCc1cccc(c1)C(=O)N1N=C(CC1(O)C(F)(F)F)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 C21H21F3N2O4 MW 422.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N2O4/c1-3-29-17-7-9-18(10-8-17)30-13-15-5-4-6-16(11-15)19(27)26-20(28,21(22,23)24)12-14(2)25-26/h4-11,28H,3,12-13H2,1-2H3InChIKey
NUNZDMQHYSCIDC-UHFFFAOYSA-NSynonyms
723253-36-9(3((4ethoxyphenoxy)methyl)phenyl)(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
(3((4ETHOXYPHENOXY)METHYL)PHENYL)(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)METHANONE
1(3((4ETHOXYPHENOXY)METHYL)BENZOYL)3METHYL5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
723253369
CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)N3C(CC(=N3)C)(C(F)(F)F)O
InChI=1SC21H21F3N2O4c1329177918(10817)30131554616(1115)19(27)2620(2821(2223)24)1214(2)2526h41128H31213H212H3
MFCD04048354
ZINC000000652892
ZINC000000652895
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