Vitas-M small molecule compound

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

Catalog ID
STK666924
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)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 C32H33N3O5 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O5/c1-3-4-5-13-30(37)34-28-12-7-6-11-26(28)33-27-19-23(22-9-8-10-24(18-22)35(38)39)20-29(36)31(27)32(34)21-14-16-25(40-2)17-15-21/h6-12,14-18,23,32-33H,3-5,13,19-20H2,1-2H3
InChIKey
CUUBOOGZSDIXGV-UHFFFAOYSA-N
Synonyms
354538-86-6
10hexanoyl11(4methoxyphenyl)3(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10HEXANOYL11(4METHOXYPHENYL)3(3NITROPHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
354538866
5hexanoyl6(4methoxyphenyl)9(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)(N+)(=O)(O))NC4=CC=CC=C41)C5=CC=C(C=C5)OC
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC32H33N3O5c13451330(37)342812761126(28)33271923(22981024(1822)35(38)39)2029(36)31(27)32(34)21141625(402)171521h6121418233233H35131920H212H3
MFCD01952368
ZINC000008445053
ZINC000008445056

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.