Vitas-M small molecule compound

3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide

Catalog ID
STK260300
SMILES COc1ccc(cc1NC(=O)CCN1C(=O)C2C(C1=O)CC=CC2)[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 C18H19N3O6 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O6/c1-27-15-7-6-11(21(25)26)10-14(15)19-16(22)8-9-20-17(23)12-4-2-3-5-13(12)18(20)24/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3,(H,19,22)
InChIKey
LLTSLMNGOZCWGI-UHFFFAOYSA-N
Synonyms

3(13dioxo133a477ahexahydro2Hisoindol2yl)N(2methoxy5nitrophenyl)propanamide
3(13dioxo3a477atetrahydroisoindol2yl)N(2methoxy5nitrophenyl)propanamide
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CCN2C(=O)C3CC=CCC3C2=O
COc1ccc(cc1NC(=O)CCN1C(=O)C2C(C1=O)CC=CC2)(N+)(=O)(O)
InChI=1SC18H19N3O6c127157611(21(25)26)1014(15)1916(22)892017(23)12423513(12)18(20)24h2367101213H4589H21H3(H1922)
MFCD08681338
ZINC000018244162
ZINC000100099771

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Available files

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