Vitas-M small molecule compound
(3E)-3-[2-(3-bromophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STL239616
SMILES Brc1cccc(c1)C(=O)/C=c\1/[nH]c2ccc(cc2oc1=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 C16H9BrN2O5 MW 389.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrN2O5/c17-10-3-1-2-9(6-10)14(20)8-13-16(21)24-15-7-11(19(22)23)4-5-12(15)18-13/h1-8,18H/b13-8+InChIKey
APVMVVBCDNRMLZ-MDWZMJQESA-NSynonyms
(3E)3(2(3bromophenyl)2oxoethylidene)7nitro34dihydro2H14benzoxazin2one
(3E)3(2(3BROMOPHENYL)2OXOETHYLIDENE)7NITRO4H14BENZOXAZIN2ONE
(E)3(2(3bromophenyl)2oxoethylidene)7nitro34dihydro2Hbenzo(b)(14)oxazin2one
3(2(3BROMOPHENYL)2OXOETHYLIDENE)7NITRO4HBENZO(E)14OXAZAPERHYDROIN2ONE
Brc1cccc(c1)C(=O)C=c1(nH)c2ccc(cc2oc1=O)(N+)(=O)(O)
C1=CC(=CC(=C1)Br)C(=O)C=C2C(=O)OC3=C(N2)C=CC(=C3)(N+)(=O)(O)
InChI=1SC16H9BrN2O5c17103129(610)14(20)81316(21)2415711(19(22)23)4512(15)1813h1818Hb138+
MFCD02039887
ZINC000100476730
ZINC100476730
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