Vitas-M small molecule compound
1-[5-(4-ethylphenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Catalog ID
STK757016
SMILES CCc1ccc(cc1)C1(O)CC(=NN1C(=O)Cc1ccc(cc1)[N+](=O)[O-])C(F)(F)F
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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 C20H18F3N3O4 MW 421.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O4/c1-2-13-3-7-15(8-4-13)19(28)12-17(20(21,22)23)24-25(19)18(27)11-14-5-9-16(10-6-14)26(29)30/h3-10,28H,2,11-12H2,1H3InChIKey
DJIHXHYPPBWYFO-UHFFFAOYSA-NSynonyms
1(5(4ethylphenyl)5hydroxy3(trifluoromethyl)45dihydro1Hpyrazol1yl)2(4nitrophenyl)ethanone
1(5(4ETHYLPHENYL)5HYDROXY3(TRIFLUOROMETHYL)4HPYRAZOL1YL)2(4NITROPHENYL)ETHANONE
5(4ETHYLPHENYL)1((4NITROPHENYL)ACETYL)3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5OL
CCC1=CC=C(C=C1)C2(CC(=NN2C(=O)CC3=CC=C(C=C3)(N+)(=O)(O))C(F)(F)F)O
CCc1ccc(cc1)C1(O)CC(=NN1C(=O)Cc1ccc(cc1)(N+)(=O)(O))C(F)(F)F
InChI=1SC20H18F3N3O4c12133715(8413)19(28)1217(20(2122)23)2425(19)18(27)11145916(10614)26(29)30h31028H21112H21H3
MFCD01240602
ZINC000000714619
ZINC000000714620
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