Vitas-M small molecule compound

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

Catalog ID
STK245083
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])CCCN1C(=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 C19H21N3O5 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5/c1-12-8-9-13(22(26)27)11-16(12)20-17(23)7-4-10-21-18(24)14-5-2-3-6-15(14)19(21)25/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,23)
InChIKey
VDQCPZZGQXMZHZ-UHFFFAOYSA-N
Synonyms

4(13dioxo133a477ahexahydro2Hisoindol2yl)N(2methyl5nitrophenyl)butanamide
4(13dioxo3a477atetrahydroisoindol2yl)N(2methyl5nitrophenyl)butanamide
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CCCN2C(=O)C3CC=CCC3C2=O
InChI=1SC19H21N3O5c1128913(22(26)27)1116(12)2017(23)74102118(24)14523615(14)19(21)25h2389111415H4710H21H3(H2023)
MFCD08681343
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CCCN1C(=O)C2C(C1=O)CC=CC2
ZINC000018227911
ZINC000102547699

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Available files

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