Vitas-M small molecule compound
4,4-diethyl-2-(2,4,6-trinitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine
Catalog ID
STK677969
SMILES CCC1(CC)OC(Nc2c1cccc2)c1c(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 C18H18N4O7 MW 402.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O7/c1-3-18(4-2)12-7-5-6-8-13(12)19-17(29-18)16-14(21(25)26)9-11(20(23)24)10-15(16)22(27)28/h5-10,17,19H,3-4H2,1-2H3InChIKey
NUBQYGLCQYFNJN-UHFFFAOYSA-NSynonyms
44DIETHYL2(246TRINITROPHENYL)12DIHYDRO31BENZOXAZINE
44diethyl2(246trinitrophenyl)14dihydro2H31benzoxazine
CCC1(C2=CC=CC=C2NC(O1)C3=C(C=C(C=C3(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))CC
CCC1(CC)OC(Nc2c1cccc2)c1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H18N4O7c1318(42)12756813(12)1917(2918)1614(21(25)26)911(20(23)24)1015(16)22(27)28h5101719H34H212H3
MFCD03017821
ZINC000100110303
ZINC000100110304
Check stock
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Check stock on Vitas-MAvailable files
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