Vitas-M small molecule compound
2,3-dimethoxy-6-(5-nitro-2,3-dihydro-1,3-benzoxazol-2-yl)benzoic acid
Catalog ID
STL322085
SMILES COc1c(OC)ccc(c1C(=O)O)C1Nc2c(O1)ccc(c2)[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 C16H14N2O7 MW 346.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O7/c1-23-12-6-4-9(13(16(19)20)14(12)24-2)15-17-10-7-8(18(21)22)3-5-11(10)25-15/h3-7,15,17H,1-2H3,(H,19,20)InChIKey
QJEYMAANMSGVRO-UHFFFAOYSA-NSynonyms
304870-62-023dimethoxy6(5nitro23dihydro13benzoxazol2yl)benzoicacid
23dimethoxy6(5nitro23dihydrobenzo(d)oxazol2yl)benzoicacid
304870620
COC1=C(C(=C(C=C1)C2NC3=C(O2)C=CC(=C3)(N+)(=O)(O))C(=O)O)OC
COc1c(OC)ccc(c1C(=O)O)C1Nc2c(O1)ccc(c2)(N+)(=O)(O)
InChI=1SC16H14N2O7c12312649(13(16(19)20)14(12)242)15171078(18(21)22)3511(10)2515h371517H12H3(H1920)
MFCD01553072
ZINC000004733440
ZINC000004733443
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