Vitas-M small molecule compound

4-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione

Catalog ID
STK854512
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=O)COc2c(C1=O)cccc2

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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 C17H12N2O6 MW 340.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O6/c20-14(11-5-7-12(8-6-11)19(23)24)9-18-16(21)10-25-15-4-2-1-3-13(15)17(18)22/h1-8H,9-10H2
InChIKey
ULUBZMVIWAAOCI-UHFFFAOYSA-N
Synonyms
895837-24-8
4(2(4nitrophenyl)2oxoethyl)14benzoxazepine35(2H4H)dione
4(2(4NITROPHENYL)2OXOETHYL)14BENZOXAZEPINE35DIONE
4(2(4NITROPHENYL)2OXOETHYL)2HBENZO(F)14OXAZAPERHYDROEPINE35DIONE
4(2(4nitrophenyl)2oxoethyl)benzo(f)(14)oxazepine35(2H4H)dione
895837248
C1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H12N2O6c2014(115712(8611)19(23)24)91816(21)102515421313(15)17(18)22h18H910H2
MFCD08289405
O=C(c1ccc(cc1)(N+)(=O)(O))CN1C(=O)COc2c(C1=O)cccc2
ZINC000006757998
ZINC06757998
ZINC6757998

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Available files

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