Vitas-M small molecule compound

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

Catalog ID
STL172255
SMILES CCCCCC(=O)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)c1ccco1

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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 C29H29N3O5 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5/c1-2-3-4-14-27(34)31-24-12-6-5-11-22(24)30-23-17-20(26-13-8-15-37-26)18-25(33)28(23)29(31)19-9-7-10-21(16-19)32(35)36/h5-13,15-16,20,29-30H,2-4,14,17-18H2,1H3
InChIKey
PIFXHPRARWRRND-UHFFFAOYSA-N
Synonyms
354537-34-1
3(furan2yl)10hexanoyl11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
354537341
9(furan2yl)5hexanoyl6(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
CCCCCC(=O)N1C(c2cccc(c2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)c1ccco1
InChI=1SC29H29N3O5c12341427(34)312412651122(24)30231720(26138153726)1825(33)28(23)29(31)19971021(1619)32(35)36h5131516202930H24141718H21H3
MFCD01922813
ZINC000008444466
ZINC000008444470

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Available files

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