Vitas-M small molecule compound
[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-nitrophenyl)methanone
Catalog ID
STK756205
SMILES COc1cccc(c1)C1(O)CC(=NN1C(=O)c1ccccc1[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 C18H14F3N3O5 MW 409.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N3O5/c1-29-12-6-4-5-11(9-12)17(26)10-15(18(19,20)21)22-23(17)16(25)13-7-2-3-8-14(13)24(27)28/h2-9,26H,10H2,1H3InChIKey
CBDHOIWGZIXMTP-UHFFFAOYSA-NSynonyms
(5hydroxy5(3methoxyphenyl)3(trifluoromethyl)45dihydro1Hpyrazol1yl)(2nitrophenyl)methanone
(5HYDROXY5(3METHOXYPHENYL)3(TRIFLUOROMETHYL)4HPYRAZOL1YL)(2NITROPHENYL)METHANONE
COC1=CC=CC(=C1)C2(CC(=NN2C(=O)C3=CC=CC=C3(N+)(=O)(O))C(F)(F)F)O
COc1cccc(c1)C1(O)CC(=NN1C(=O)c1ccccc1(N+)(=O)(O))C(F)(F)F
InChI=1SC18H14F3N3O5c1291264511(912)17(26)1015(18(1920)21)2223(17)16(25)13723814(13)24(27)28h2926H10H21H3
MFCD00782078
ZINC000000827419
ZINC000000827420
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