Vitas-M small molecule compound

2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK269562
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)CC=CC2

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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 C24H20N2O8 MW 464.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O8/c1-33-21-11-8-15(12-19(21)26(31)32)20(27)13-34-24(30)14-6-9-16(10-7-14)25-22(28)17-4-2-3-5-18(17)23(25)29/h2-3,6-12,17-18H,4-5,13H2,1H3
InChIKey
RMQQXSRLDWMJQB-UHFFFAOYSA-N
Synonyms

(2(4METHOXY3NITROPHENYL)2OXOETHYL)4(13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOATE
2(4methoxy3nitrophenyl)2oxoethyl4(13dioxo133a477ahexahydro2Hisoindol2yl)benzoate
2(4METHOXY3NITROPHENYL)2OXOETHYL4(13DIOXO473A7ATETRAHYDROISOINDOL2YL)BENZOATE
COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)CC=CC2
InChI=1SC24H20N2O8c1332111815(1219(21)26(31)32)20(27)133424(30)146916(10714)2522(28)17423518(17)23(25)29h236121718H4513H21H3
MFCD02318810
ZINC000001174116
ZINC000100744796

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Available files

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