Vitas-M small molecule compound
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)butanamide
Catalog ID
STK245085
SMILES COc1ccc(cc1NC(=O)CCCN1C(=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 C19H21N3O6 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O6/c1-28-16-9-8-12(22(26)27)11-15(16)20-17(23)7-4-10-21-18(24)13-5-2-3-6-14(13)19(21)25/h2-3,8-9,11,13-14H,4-7,10H2,1H3,(H,20,23)InChIKey
WDCGOYXZCBOHQI-UHFFFAOYSA-NSynonyms
4(13dioxo133a477ahexahydro2Hisoindol2yl)N(2methoxy5nitrophenyl)butanamide
4(13dioxo3a477atetrahydroisoindol2yl)N(2methoxy5nitrophenyl)butanamide
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CCCN2C(=O)C3CC=CCC3C2=O
COc1ccc(cc1NC(=O)CCCN1C(=O)C2C(C1=O)CC=CC2)(N+)(=O)(O)
InChI=1SC19H21N3O6c128169812(22(26)27)1115(16)2017(23)74102118(24)13523614(13)19(21)25h2389111314H4710H21H3(H2023)
MFCD08681345
ZINC000018227921
ZINC000101763578
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