Vitas-M small molecule compound

11-(4-nitrophenyl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK043994
SMILES O=C1CCCC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccc(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 C26H21N3O4 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4/c30-23-8-4-7-21-24(23)25(16-9-12-19(13-10-16)29(32)33)28-20-14-11-18(15-22(20)27-21)26(31)17-5-2-1-3-6-17/h1-3,5-6,9-15,25,27-28H,4,7-8H2
InChIKey
USBCNMJGJPYFFK-UHFFFAOYSA-N
Synonyms

11(4nitrophenyl)7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(4nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1
InChI=1SC26H21N3O4c30238472124(23)25(1691219(131016)29(32)33)2820141118(1522(20)2721)26(31)175213617h1356915252728H478H2
MFCD02108896
O=C1CCCC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
STK043994
ZINC000000669917
ZINC000000669918

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Available files

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