Vitas-M small molecule compound
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK731516
SMILES O=C(c1n(C)ncc1[N+](=O)[O-])Nc1cc(OCC(F)(F)F)cc(c1)OCC(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 C15H12F6N4O5 MW 442.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12F6N4O5/c1-24-12(11(5-22-24)25(27)28)13(26)23-8-2-9(29-6-14(16,17)18)4-10(3-8)30-7-15(19,20)21/h2-5H,6-7H2,1H3,(H,23,26)InChIKey
UCQNCDCZQZXZCH-UHFFFAOYSA-NSynonyms
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
InChI=1SC15H12F6N4O5c12412(11(52224)25(27)28)13(26)23829(29614(1617)18)410(38)30715(1920)21h25H67H21H3(H2326)
MFCD02631248
N(35bis(222trifluoroethoxy)phenyl)1methyl4nitro1Hpyrazole5carboxamide
N(35BIS(222TRIFLUOROETHOXY)PHENYL)2METHYL4NITROPYRAZOLE3CARBOXAMIDE
O=C(c1n(C)ncc1(N+)(=O)(O))Nc1cc(OCC(F)(F)F)cc(c1)OCC(F)(F)F
ZINC000001066808
ZINC01066808
ZINC1066808
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