Vitas-M small molecule compound
2-(4,5-dimethoxy-2-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Catalog ID
STK665040
SMILES COc1cc(C2NC(=O)c3c(O2)cccc3)c(cc1OC)[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 C16H14N2O6 MW 330.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O6/c1-22-13-7-10(11(18(20)21)8-14(13)23-2)16-17-15(19)9-5-3-4-6-12(9)24-16/h3-8,16H,1-2H3,(H,17,19)InChIKey
TYYMQPOUQDCAFS-UHFFFAOYSA-NSynonyms
2(45dimethoxy2nitrophenyl)23dihydro13benzoxazin4one
2(45dimethoxy2nitrophenyl)23dihydro4H13benzoxazin4one
COC1=C(C=C(C(=C1)C2NC(=O)C3=CC=CC=C3O2)(N+)(=O)(O))OC
COc1cc(C2NC(=O)c3c(O2)cccc3)c(cc1OC)(N+)(=O)(O)
InChI=1SC16H14N2O6c12213710(11(18(20)21)814(13)232)161715(19)9534612(9)2416h3816H12H3(H1719)
MFCD08142726
ZINC000006668504
ZINC000006668505
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