Vitas-M small molecule compound

5-chloro-3-methyl-4,6-dinitro-1,3-benzoxazol-2(3H)-one

Catalog ID
STK694451
SMILES [O-][N+](=O)c1c2c(oc(=O)n2C)cc(c1Cl)[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 C8H4ClN3O6 MW 273.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H4ClN3O6/c1-10-6-4(18-8(10)13)2-3(11(14)15)5(9)7(6)12(16)17/h2H,1H3
InChIKey
WYCUJAAOXIRJAZ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1c2c(oc(=O)n2C)cc(c1Cl)(N+)(=O)(O)
5chloro3methyl46dinitro13benzoxazol2(3H)one
5CHLORO3METHYL46DINITRO13BENZOXAZOL2ONE
5CHLORO3METHYL46DINITRO3HYDROBENZOXAZOL2ONE
CN1C2=C(C=C(C(=C2(N+)(=O)(O))Cl)(N+)(=O)(O))OC1=O
InChI=1SC8H4ClN3O6c11064(188(10)13)23(11(14)15)5(9)7(6)12(16)17h2H1H3
MFCD12034621
ZINC000035324298
ZINC35324298

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Available files

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