Vitas-M small molecule compound
2-benzyl-3-[(4-nitrophenyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK065055
SMILES O=C1N(Cc2ccccc2)C(C2=C1CCCC2)Nc1ccc(cc1)[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/c25-21-19-9-5-4-8-18(19)20(23(21)14-15-6-2-1-3-7-15)22-16-10-12-17(13-11-16)24(26)27/h1-3,6-7,10-13,20,22H,4-5,8-9,14H2InChIKey
QKHBMQTZMYYXRM-UHFFFAOYSA-NSynonyms
2benzyl3((4nitrophenyl)amino)234567hexahydro1Hisoindol1one
2benzyl3(4nitroanilino)4567tetrahydro3Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC=CC=C3)NC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H21N3O3c252119954818(19)20(23(21)14156213715)2216101217(131116)24(26)27h136710132022H458914H2
MFCD03033740
O=C1N(Cc2ccccc2)C(C2=C1CCCC2)Nc1ccc(cc1)(N+)(=O)(O)
STK065055
ZINC000009553822
ZINC000009554181
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