Vitas-M small molecule compound
4-nitro-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid
Catalog ID
STL414444
SMILES [O-][N+](=O)c1cn(nc1C(=O)O)COc1cccc(c1)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 C12H8F3N3O5 MW 331.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8F3N3O5/c13-12(14,15)7-2-1-3-8(4-7)23-6-17-5-9(18(21)22)10(16-17)11(19)20/h1-5H,6H2,(H,19,20)InChIKey
FLVQSVCAGIHLMX-UHFFFAOYSA-NSynonyms
1006955-09-4(O)(N+)(=O)c1cn(nc1C(=O)O)COc1cccc(c1)C(F)(F)F
1006955094
4nitro1((3(trifluoromethyl)phenoxy)methyl)1Hpyrazole3carboxylicacid
4NITRO1((3(TRIFLUOROMETHYL)PHENOXY)METHYL)PYRAZOLE3CARBOXYLICACID
C1=CC(=CC(=C1)OCN2C=C(C(=N2)C(=O)O)(N+)(=O)(O))C(F)(F)F
InChI=1SC12H8F3N3O5c1312(1415)72138(47)2361759(18(21)22)10(1617)11(19)20h15H6H2(H1920)
MFCD04968134
ZINC000002535986
ZINC2535986
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