Vitas-M small molecule compound
2-hydroxy-6-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STK772722
SMILES O=C1Nc2cc(ccc2OC1(O)C(F)(F)F)[N+](=O)[O-]
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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 C9H5F3N2O5 MW 278.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H5F3N2O5/c10-9(11,12)8(16)7(15)13-5-3-4(14(17)18)1-2-6(5)19-8/h1-3,16H,(H,13,15)InChIKey
CATUPQKMCLYNGQ-UHFFFAOYSA-NSynonyms
2hydroxy6nitro2(trifluoromethyl)2H14benzoxazin3(4H)one
2HYDROXY6NITRO2(TRIFLUOROMETHYL)4H14BENZOXAZIN3ONE
C1=CC2=C(C=C1(N+)(=O)(O))NC(=O)C(O2)(C(F)(F)F)O
InChI=1SC9H5F3N2O5c109(1112)8(16)7(15)13534(14(17)18)126(5)198h1316H(H1315)
MFCD03820655
O=C1Nc2cc(ccc2OC1(O)C(F)(F)F)(N+)(=O)(O)
ZINC000002492376
ZINC000002492377
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