Vitas-M small molecule compound

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

Catalog ID
STK316003
SMILES CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)C

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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 C29H27N3O4 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4/c1-3-27(34)31-25-10-5-4-9-23(25)30-24-16-21(19-13-11-18(2)12-14-19)17-26(33)28(24)29(31)20-7-6-8-22(15-20)32(35)36/h4-15,21,29-30H,3,16-17H2,1-2H3
InChIKey
UHSZUPHJTPXZPU-UHFFFAOYSA-N
Synonyms
445243-72-1
3(4methylphenyl)11(3nitrophenyl)10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
445243721
9(4methylphenyl)6(3nitrophenyl)5propanoyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)C
InChI=1SC29H27N3O4c1327(34)31251054923(25)30241621(19131118(2)121419)1726(33)28(24)29(31)2076822(1520)32(35)36h415212930H31617H212H3
MFCD02175286
ZINC000012648780
ZINC000012648794

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Available files

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