Vitas-M small molecule compound
2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one
Catalog ID
STL331488
SMILES O=c1cccccc1Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[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 C13H7N3O8 MW 333.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N3O8/c17-11-4-2-1-3-5-12(11)24-13-9(15(20)21)6-8(14(18)19)7-10(13)16(22)23/h1-7HInChIKey
IYBSRLAHANQWFX-UHFFFAOYSA-NSynonyms
63591-35-52(246trinitrophenoxy)cyclohepta246trien1one
2(246trinitrophenoxy)cyclohepta246trienone
246CYCLOHEPTATRIEN1ONE2(246TRINITROPHENOXY)
63591355
C1=CC=C(C(=O)C=C1)OC2=C(C=C(C=C2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H7N3O8c17114213512(11)24139(15(20)21)68(14(18)19)710(13)16(22)23h17H
MFCD01855607
O=c1cccccc1Oc1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
ZINC000100802460
ZINC100802460
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