Vitas-M small molecule compound

3-(4-chlorophenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK050161
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1[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 C26H20ClN3O5 MW 489.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O5/c27-16-7-5-14(6-8-16)15-9-20-25(22(31)10-15)26(29-19-4-2-1-3-18(19)28-20)17-11-23-24(35-13-34-23)12-21(17)30(32)33/h1-8,11-12,15,26,28-29H,9-10,13H2
InChIKey
WKPWMNRDRWUPQB-UHFFFAOYSA-N
Synonyms

3(4CHLOROPHENYL)11(6NITRO(2HBENZO(D)13DIOXOLEN5YL))234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4chlorophenyl)11(6nitro13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4chlorophenyl)6(6nitro13benzodioxol5yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC26H20ClN3O5c27167514(6816)1592025(22(31)1015)26(2919421318(19)2820)17112324(35133423)1221(17)30(32)33h18111215262829H91013H2
MFCD01824284
STK050161
ZINC000000709404
ZINC000000709407

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Available files

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