Vitas-M small molecule compound
6,6'-methanediylbis[2-(2-nitrophenyl)-4H-3,1-benzoxazin-4-one]
Catalog ID
STK296393
SMILES [O-][N+](=O)c1ccccc1c1nc2ccc(cc2c(=O)o1)Cc1ccc2c(c1)c(=O)oc(n2)c1ccccc1[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 C29H16N4O8 MW 548.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H16N4O8/c34-28-20-14-16(9-11-22(20)30-26(40-28)18-5-1-3-7-24(18)32(36)37)13-17-10-12-23-21(15-17)29(35)41-27(31-23)19-6-2-4-8-25(19)33(38)39/h1-12,14-15H,13H2InChIKey
UUEAKPJVXNDKGE-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccccc1c1nc2ccc(cc2c(=O)o1)Cc1ccc2c(c1)c(=O)oc(n2)c1ccccc1(N+)(=O)(O)
2(2NITROPHENYL)6((2(2NITROPHENYL)4OXO31BENZOXAZIN6YL)METHYL)31BENZOXAZIN4ONE
2(2NITROPHENYL)6((2(2NITROPHENYL)4OXOBENZO(D)13OXAZIN6YL)METHYL)BENZO(D)13OXAZIN4ONE
66methanediylbis(2(2nitrophenyl)4H31benzoxazin4one)
C1=CC=C(C(=C1)C2=NC3=C(C=C(C=C3)CC4=CC5=C(C=C4)N=C(OC5=O)C6=CC=CC=C6(N+)(=O)(O))C(=O)O2)(N+)(=O)(O)
InChI=1SC29H16N4O8c3428201416(91122(20)3026(4028)18513724(18)32(36)37)131710122321(1517)29(35)4127(3123)19624825(19)33(38)39h1121415H13H2
MFCD00317507
ZINC000003144338
ZINC3144338
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.