Vitas-M small molecule compound
2-(2-chloro-4-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
Catalog ID
STK360506
SMILES COc1cc2nc(oc(=O)c2cc1OC)c1ccc(cc1Cl)[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 C16H11ClN2O6 MW 362.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O6/c1-23-13-6-10-12(7-14(13)24-2)18-15(25-16(10)20)9-4-3-8(19(21)22)5-11(9)17/h3-7H,1-2H3InChIKey
PARCNSWPSDLQOG-UHFFFAOYSA-NSynonyms
2(2CHLORO4NITROPHENYL)67DIMETHOXY31BENZOXAZIN4ONE
2(2chloro4nitrophenyl)67dimethoxy4H31benzoxazin4one
COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OC
COc1cc2nc(oc(=O)c2cc1OC)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC16H11ClN2O6c1231361012(714(13)242)1815(2516(10)20)9438(19(21)22)511(9)17h37H12H3
MFCD00845982
ZINC000001065814
ZINC01065814
ZINC1065814
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