Vitas-M small molecule compound

2-(3,5-dinitrophenyl)-1,3-benzoxazole

Catalog ID
STK391479
SMILES [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])c1nc2c(o1)cccc2

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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 C13H7N3O5 MW 285.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N3O5/c17-15(18)9-5-8(6-10(7-9)16(19)20)13-14-11-3-1-2-4-12(11)21-13/h1-7H
InChIKey
QITPNOSQBITPFB-UHFFFAOYSA-N
Synonyms
56629-42-6
(O)(N+)(=O)c1cc(cc(c1)(N+)(=O)(O))c1nc2c(o1)cccc2
2(35dinitrophenyl)13benzoxazole
2(35DINITROPHENYL)BENZOXAZOLE
56629426
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H7N3O5c1715(18)958(610(79)16(19)20)131411312412(11)2113h17H
MFCD00418487
ZINC000003898108
ZINC03898108
ZINC3898108

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.