Vitas-M small molecule compound
3-(4-methylphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403410
SMILES Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(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 C26H23N3O3 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3/c1-16-9-11-17(12-10-16)19-14-23-25(24(30)15-19)26(18-5-4-6-20(13-18)29(31)32)28-22-8-3-2-7-21(22)27-23/h2-13,19,26-28H,14-15H2,1H3InChIKey
BHOVGMRNGZGRNQ-UHFFFAOYSA-NSynonyms
438533-10-93(4methylphenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438533109
9(4methylphenyl)6(3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C2
Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H23N3O3c11691117(121016)19142325(24(30)1519)26(1854620(1318)29(31)32)2822832721(22)2723h213192628H1415H21H3
MFCD02174986
ZINC000001123518
ZINC000001123525
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