Vitas-M small molecule compound
3-(4-methylphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK032681
SMILES Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1[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/c1-16-10-12-17(13-11-16)18-14-22-25(24(30)15-18)26(19-6-2-5-9-23(19)29(31)32)28-21-8-4-3-7-20(21)27-22/h2-13,18,26-28H,14-15H2,1H3InChIKey
CJXMQLAXIVLDAD-UHFFFAOYSA-NSynonyms
3(4methylphenyl)11(2nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methylphenyl)6(2nitrophenyl)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)Nc1ccccc1NC2c1ccccc1(N+)(=O)(O)
InChI=1SC26H23N3O3c116101217(131116)18142225(24(30)1518)26(19625923(19)29(31)32)2821843720(21)2722h213182628H1415H21H3
MFCD03489330
STK032681
ZINC000001123567
ZINC000001123571
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