Vitas-M small molecule compound

3-(4-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK004880
SMILES COc1ccc(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 C26H23N3O4 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4/c1-33-20-11-9-16(10-12-20)18-14-23-25(24(30)15-18)26(17-5-4-6-19(13-17)29(31)32)28-22-8-3-2-7-21(22)27-23/h2-13,18,26-28H,14-15H2,1H3
InChIKey
KGWJKHNQEUXZHS-UHFFFAOYSA-N
Synonyms
312597-69-6
3(4methoxyphenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312597696
9(4methoxyphenyl)6(3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H23N3O4c1332011916(101220)18142325(24(30)1518)26(1754619(1317)29(31)32)2822832721(22)2723h213182628H1415H21H3
MFCD01655314
STK004880
ZINC000001467859
ZINC000001467862

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Available files

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