Vitas-M small molecule compound

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

Catalog ID
STL169414
SMILES CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1

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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 C28H25N3O4 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4/c1-2-26(33)30-24-14-7-6-13-22(24)29-23-16-20(18-9-4-3-5-10-18)17-25(32)27(23)28(30)19-11-8-12-21(15-19)31(34)35/h3-15,20,28-29H,2,16-17H2,1H3
InChIKey
NHGGMQREABJAAP-UHFFFAOYSA-N
Synonyms
312626-53-2
11(3nitrophenyl)3phenyl10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312626532
6(3nitrophenyl)9phenyl5propanoyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
InChI=1SC28H25N3O4c1226(33)302414761322(24)29231620(1894351018)1725(32)27(23)28(30)191181221(1519)31(34)35h315202829H21617H21H3
MFCD01922832
ZINC000000654587
ZINC000000654595

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Available files

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