Vitas-M small molecule compound

11-(3-nitrophenyl)-8-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK005376
SMILES O=C1CCCC2=C1C(Nc1c(N2)ccc(c1)C(=O)c1ccccc1)c1cccc(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 C26H21N3O4 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4/c30-23-11-5-10-21-24(23)25(17-8-4-9-19(14-17)29(32)33)28-22-15-18(12-13-20(22)27-21)26(31)16-6-2-1-3-7-16/h1-4,6-9,12-15,25,27-28H,5,10-11H2
InChIKey
JRAKLIMXZQJKME-UHFFFAOYSA-N
Synonyms
354538-53-7
11(3nitrophenyl)8(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
354538537
3benzoyl6(3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1CC2=C(C(NC3=C(N2)C=CC(=C3)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1
InChI=1SC26H21N3O4c3023115102124(23)25(1784919(1417)29(32)33)28221518(121320(22)2721)26(31)166213716h14691215252728H51011H2
MFCD01954971
O=C1CCCC2=C1C(Nc1c(N2)ccc(c1)C(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
STK005376
ZINC000000681767
ZINC000000681768

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Available files

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