Vitas-M small molecule compound

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

Catalog ID
STK372135
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Oc1cccc(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 C24H16N2O8 MW 460.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O8/c1-2-33-23(29)14-6-9-16(10-7-14)25-21(27)19-11-8-15(12-20(19)22(25)28)24(30)34-18-5-3-4-17(13-18)26(31)32/h3-13H,2H2,1H3
InChIKey
QJORRNXKZQGJLA-UHFFFAOYSA-N
Synonyms

(3NITROPHENYL)2(4ETHOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
3nitrophenyl2(4(ethoxycarbonyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylate
3NITROPHENYL2(4(ETHOXYCARBONYL)PHENYL)13DIOXOBENZO(C)AZOLINE5CARBOXYLATE
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=CC(=C4)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Oc1cccc(c1)(N+)(=O)(O)
InChI=1SC24H16N2O8c123323(29)146916(10714)2521(27)1911815(1220(19)22(25)28)24(30)341853417(1318)26(31)32h313H2H21H3
MFCD00593956
ZINC000003196428
ZINC03196428
ZINC3196428

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Available files

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