Vitas-M small molecule compound

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

Catalog ID
STK039246
SMILES O=C1CCCC2=C1C(Nc1c(N2)cc(cc1)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)28-20-13-12-18(15-22(20)27-21)26(31)16-6-2-1-3-7-16/h1-4,6-9,12-15,25,27-28H,5,10-11H2
InChIKey
KQWSHJJCECJSCG-UHFFFAOYSA-N
Synonyms
5927-43-5
11(3nitrophenyl)7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
5927435
C1CC2=C(C(NC3=C(N2)C=C(C=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)2820131218(1522(20)2721)26(31)166213716h14691215252728H51011H2
MFCD01829844
O=C1CCCC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
STK039246
ZINC000000669925
ZINC000000669927

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Available files

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