Vitas-M small molecule compound
3-(4-methoxyphenyl)-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL070008
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(o1)[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 C24H21N3O5 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5/c1-31-16-8-6-14(7-9-16)15-12-19-23(20(28)13-15)24(21-10-11-22(32-21)27(29)30)26-18-5-3-2-4-17(18)25-19/h2-11,15,24-26H,12-13H2,1H3InChIKey
VRGBYQUSAQYZMH-UHFFFAOYSA-NSynonyms
516456-07-83(4METHOXYPHENYL)11(5NITRO(2FURYL))234TRIHYDRO10H11HBENZO(B)BENZO(12E)14DIAZEPIN1OL
3(4methoxyphenyl)11(5nitrofuran2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
516456078
9(4methoxyphenyl)6(5nitrofuran2yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(O5)(N+)(=O)(O))C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(o1)(N+)(=O)(O)
InChI=1SC24H21N3O5c131168614(7916)15121923(20(28)1315)24(21101122(3221)27(29)30)2618532417(18)2519h211152426H1213H21H3
MFCD03946441
ZINC000004402972
ZINC000009089759
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