Vitas-M small molecule compound
11-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403356
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)[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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-35-24-14-18(15-25(36-2)28(24)37-3)17-12-22-26(23(32)13-17)27(16-8-10-19(11-9-16)31(33)34)30-21-7-5-4-6-20(21)29-22/h4-11,14-15,17,27,29-30H,12-13H2,1-3H3InChIKey
LMRMTNWBYNPHID-UHFFFAOYSA-NSynonyms
11(4nitrophenyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4nitrophenyl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C2
COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H27N3O6c135241418(1525(362)28(24)373)17122226(23(32)1317)27(1681019(11916)31(33)34)3021754620(21)2922h411141517272930H1213H213H3
MFCD03489173
ZINC000001076954
ZINC000001076964
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