Vitas-M small molecule compound

2-(4-nitrophenyl)-2-oxoethyl 2-[3-(butoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK268345
SMILES CCCCOC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1ccc(cc1)[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 C28H22N2O9 MW 530.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O9/c1-2-3-13-38-27(34)18-5-4-6-21(14-18)29-25(32)22-12-9-19(15-23(22)26(29)33)28(35)39-16-24(31)17-7-10-20(11-8-17)30(36)37/h4-12,14-15H,2-3,13,16H2,1H3
InChIKey
GVTJODQOWRNSJS-UHFFFAOYSA-N
Synonyms

(2(4NITROPHENYL)2OXOETHYL)2(3BUTOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
2(4nitrophenyl)2oxoethyl2(3(butoxycarbonyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylate
2(4NITROPHENYL)2OXOETHYL2(3(BUTOXYCARBONYL)PHENYL)13DIOXO5ISOINDOLINECARBOXYLATE
CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCCCOC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H22N2O9c123133827(34)1854621(1418)2925(32)2212919(1523(22)26(29)33)28(35)391624(31)1771020(11817)30(36)37h4121415H231316H21H3
MFCD01210230
ZINC000002068033
ZINC02068033
ZINC2068033

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Available files

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