Vitas-M small molecule compound
2-{2-[(4-nitrobenzyl)oxy]phenyl}-3-(phenylcarbonyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Catalog ID
STL325543
SMILES O=C(N1C(Oc2c(C1=O)cccc2)c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])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 C28H20N2O6 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O6/c31-26(20-8-2-1-3-9-20)29-27(32)22-10-4-7-13-25(22)36-28(29)23-11-5-6-12-24(23)35-18-19-14-16-21(17-15-19)30(33)34/h1-17,28H,18H2InChIKey
DRYVRSNCHGPEQV-UHFFFAOYSA-NSynonyms
371959-33-02(2((4nitrobenzyl)oxy)phenyl)3(phenylcarbonyl)23dihydro4H13benzoxazin4one
371959330
3benzoyl2(2((4nitrobenzyl)oxy)phenyl)2Hbenzo(e)(13)oxazin4(3H)one
3BENZOYL2(2((4NITROPHENYL)METHOXY)PHENYL)2H13BENZOXAZIN4ONE
C1=CC=C(C=C1)C(=O)N2C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4OCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC28H20N2O6c3126(208213920)2927(32)2210471325(22)3628(29)2311561224(23)351819141621(171519)30(33)34h11728H18H2
MFCD01085896
O=C(N1C(Oc2c(C1=O)cccc2)c1ccccc1OCc1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000002271123
ZINC000002271124
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