Vitas-M small molecule compound

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

Catalog ID
STK315989
SMILES Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)[N+](=O)[O-])C(=O)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 C33H27N3O4 MW 529.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O4/c1-21-14-16-22(17-15-21)25-19-28-31(30(37)20-25)32(24-10-7-11-26(18-24)36(39)40)35(29-13-6-5-12-27(29)34-28)33(38)23-8-3-2-4-9-23/h2-18,25,32,34H,19-20H2,1H3
InChIKey
AABSDELTGRHGBY-UHFFFAOYSA-N
Synonyms
445243-70-9
3(4methylphenyl)11(3nitrophenyl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
445243709
5benzoyl9(4methylphenyl)6(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C2
Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)(N+)(=O)(O))C(=O)c1ccccc1
InChI=1SC33H27N3O4c121141622(171521)25192831(30(37)2025)32(241071126(1824)36(39)40)35(2913651227(29)3428)33(38)238324923h218253234H1920H21H3
MFCD02175214
ZINC000008450848
ZINC000008450851

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Available files

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