Vitas-M small molecule compound
2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK097502
SMILES O=C(c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Oc1ccc2c(c1)C(=O)OC2=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 C29H14N2O9 MW 534.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H14N2O9/c32-25(15-2-1-3-18(12-15)31(37)38)16-4-10-21-23(13-16)27(34)30(26(21)33)17-5-7-19(8-6-17)39-20-9-11-22-24(14-20)29(36)40-28(22)35/h1-14HInChIKey
UOLSQVMXCSNING-UHFFFAOYSA-NSynonyms
2(4((13DIOXO13DIHYDRO2BENZOFURAN5YL)OXY)PHENYL)5((3NITROPHENYL)CARBONYL)1HISOINDOLE13(2H)DIONE
2(4((13DIOXO2BENZOFURAN5YL)OXY)PHENYL)5(3NITROBENZOYL)ISOINDOLE13DIONE
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC6=C(C=C5)C(=O)OC6=O
InChI=1SC29H14N2O9c3225(1521318(1215)31(37)38)164102123(1316)27(34)30(26(21)33)175719(8617)39209112224(1420)29(36)4028(22)35h114H
MFCD00306091
O=C(c1cccc(c1)(N+)(=O)(O))c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Oc1ccc2c(c1)C(=O)OC2=O
STK097502
ZINC000098045164
ZINC98045164
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