Vitas-M small molecule compound

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

Catalog ID
STK614072
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)CN1C(=O)C(Oc2c(C1=O)cccc2)c1ccccc1

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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 C24H18N2O7 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7/c1-32-21-12-11-16(13-18(21)26(30)31)19(27)14-25-23(28)17-9-5-6-10-20(17)33-22(24(25)29)15-7-3-2-4-8-15/h2-13,22H,14H2,1H3
InChIKey
KMLIJRCVFSPPMM-UHFFFAOYSA-N
Synonyms
895830-53-2
4(2(4METHOXY3NITROPHENYL)2OXOETHYL)2PHENYL14BENZOXAZEPINE35(2H4H)DIONE
4(2(4methoxy3nitrophenyl)2oxoethyl)2phenyl14benzoxazepine35dione
4(2(4methoxy3nitrophenyl)2oxoethyl)2phenylbenzo(f)(14)oxazepine35(2H4H)dione
895830532
COC1=C(C=C(C=C1)C(=O)CN2C(=O)C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)CN1C(=O)C(Oc2c(C1=O)cccc2)c1ccccc1
InChI=1SC24H18N2O7c13221121116(1318(21)26(30)31)19(27)142523(28)179561020(17)3322(24(25)29)157324815h21322H14H21H3
MFCD08288533
ZINC000008737853
ZINC000008914825

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.