Vitas-M small molecule compound
2-benzyl-3-[(3-nitrophenyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK070319
SMILES O=C1N(Cc2ccccc2)C(C2=C1CCCC2)Nc1cccc(c1)[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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c25-21-19-12-5-4-11-18(19)20(23(21)14-15-7-2-1-3-8-15)22-16-9-6-10-17(13-16)24(26)27/h1-3,6-10,13,20,22H,4-5,11-12,14H2InChIKey
YPXKPDOYACCRHB-UHFFFAOYSA-NSynonyms
2benzyl3((3nitrophenyl)amino)234567hexahydro1Hisoindol1one
2benzyl3(3nitroanilino)4567tetrahydro3Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H21N3O3c25211912541118(19)20(23(21)14157213815)2216961017(1316)24(26)27h13610132022H45111214H2
MFCD03033946
O=C1N(Cc2ccccc2)C(C2=C1CCCC2)Nc1cccc(c1)(N+)(=O)(O)
STK070319
ZINC000004599457
ZINC000004599458
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