Vitas-M small molecule compound

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

Catalog ID
STK606985
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)CN1C(=O)C(CC)Oc2c(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 C21H20N2O7 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O7/c1-3-17-21(26)22(20(25)14-7-5-6-8-18(14)30-17)12-16(24)13-9-10-19(29-4-2)15(11-13)23(27)28/h5-11,17H,3-4,12H2,1-2H3
InChIKey
NPBYBTOQAIWCPL-UHFFFAOYSA-N
Synonyms
903589-58-2
4(2(4ethoxy3nitrophenyl)2oxoethyl)2ethyl14benzoxazepine35(2H4H)dione
4(2(4ethoxy3nitrophenyl)2oxoethyl)2ethyl14benzoxazepine35dione
4(2(4ETHOXY3NITROPHENYL)2OXOETHYL)2ETHYL2HBENZO(F)14OXAZAPERHYDROEPINE35DIONE
4(2(4ethoxy3nitrophenyl)2oxoethyl)2ethylbenzo(f)(14)oxazepine35(2H4H)dione
903589582
CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OCC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)CN1C(=O)C(CC)Oc2c(C1=O)cccc2
InChI=1SC21H20N2O7c131721(26)22(20(25)14756818(14)3017)1216(24)1391019(2942)15(1113)23(27)28h51117H3412H212H3
MFCD08289484
ZINC000006758205
ZINC000006758206

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Available files

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