Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK247255
SMILES CCOc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=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 C25H18N2O8 MW 474.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O8/c1-2-34-19-9-7-17(8-10-19)26-23(29)20-11-6-16(13-21(20)24(26)30)25(31)35-14-22(28)15-4-3-5-18(12-15)27(32)33/h3-13H,2,14H2,1H3
InChIKey
HEZCIVLBEDLOSK-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)2(4ETHOXYPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4ETHOXYPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4ETHOXYPHENYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
2(3NITROPHENYL)2OXOETHYL2(4ETHOXYPHENYL)13DIOXOISOINDOLINE5CARBOXYLATE
CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H18N2O8c1234199717(81019)2623(29)2011616(1321(20)24(26)30)25(31)351422(28)1543518(1215)27(32)33h313H214H21H3
MFCD01068346
ZINC000000990357
ZINC00990357
ZINC990357

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Available files

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