Vitas-M small molecule compound
2-benzyl-3-[(2-nitrophenyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK054712
SMILES O=C1C2=C(C(N1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-])CCCC2
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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c25-21-17-11-5-4-10-16(17)20(23(21)14-15-8-2-1-3-9-15)22-18-12-6-7-13-19(18)24(26)27/h1-3,6-9,12-13,20,22H,4-5,10-11,14H2InChIKey
RUOLHLMPFHZPPC-UHFFFAOYSA-NSynonyms
2benzyl3((2nitrophenyl)amino)234567hexahydro1Hisoindol1one
2benzyl3(2nitroanilino)4567tetrahydro3Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC=CC=C3)NC4=CC=CC=C4(N+)(=O)(O)
InChI=1SC21H21N3O3c25211711541016(17)20(23(21)14158213915)221812671319(18)24(26)27h136912132022H45101114H2
MFCD03032785
O=C1C2=C(C(N1Cc1ccccc1)Nc1ccccc1(N+)(=O)(O))CCCC2
STK054712
ZINC000006548512
ZINC000006548525
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