Vitas-M small molecule compound
(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)dibenzene-4,1-diyl bis(3-nitrobenzoate)
Catalog ID
STK045735
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)OC(=O)c1cccc(c1)[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 C34H20N2O10 MW 616.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H20N2O10/c37-31(21-5-3-7-25(19-21)35(40)41)44-27-15-11-23(12-16-27)34(30-10-2-1-9-29(30)33(39)46-34)24-13-17-28(18-14-24)45-32(38)22-6-4-8-26(20-22)36(42)43/h1-20HInChIKey
CXDLDDRMJIOYIM-UHFFFAOYSA-NSynonyms
(3OXO13DIHYDRO2BENZOFURAN11DIYL)DIBENZENE41DIYLBIS(3NITROBENZOATE)
(4(1(4(3NITROBENZOYL)OXYPHENYL)3OXO2BENZOFURAN1YL)PHENYL)3NITROBENZOATE
4(1(4((3NITROBENZOYL)OXY)PHENYL)3OXO13DIHYDRO2BENZOFURAN1YL)PHENYL3NITROBENZOATE
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC34H20N2O10c3731(2153725(1921)35(40)41)4427151123(121627)34(301021929(30)33(39)4634)24131728(181424)4532(38)2264826(2022)36(42)43h120H
MFCD00309050
O=C(c1cccc(c1)(N+)(=O)(O))Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)OC(=O)c1cccc(c1)(N+)(=O)(O)
STK045735
ZINC000004016351
ZINC04016351
ZINC4016351
Check stock
See real-time availability and sample size for STK045735 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.