Vitas-M small molecule compound
(3E)-6-chloro-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STL001040
SMILES Clc1ccc2c(c1)[nH]/c(=C/C(=O)c1cccc(c1)[N+](=O)[O-])/c(=O)o2
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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 C16H9ClN2O5 MW 344.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9ClN2O5/c17-10-4-5-15-12(7-10)18-13(16(21)24-15)8-14(20)9-2-1-3-11(6-9)19(22)23/h1-8,18H/b13-8+InChIKey
NBHIEORUQOHYLL-MDWZMJQESA-NSynonyms
(3E)6chloro3(2(3nitrophenyl)2oxoethylidene)34dihydro2H14benzoxazin2one
(3E)6CHLORO3(2(3NITROPHENYL)2OXOETHYLIDENE)4H14BENZOXAZIN2ONE
(E)6chloro3(2(3nitrophenyl)2oxoethylidene)34dihydro2Hbenzo(b)(14)oxazin2one
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)C=C2C(=O)OC3=C(N2)C=C(C=C3)Cl
Clc1ccc2c(c1)(nH)c(=CC(=O)c1cccc(c1)(N+)(=O)(O))c(=O)o2
InChI=1SC16H9ClN2O5c1710451512(710)1813(16(21)2415)814(20)921311(69)19(22)23h1818Hb138+
MFCD03286549
ZINC000100820663
ZINC100820663
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