Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK030189
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c1-34-24-11-10-16(15-25(24)35-2)18-13-22-26(23(31)14-18)27(17-6-5-7-19(12-17)30(32)33)29-21-9-4-3-8-20(21)28-22/h3-12,15,18,27-29H,13-14H2,1-2H3InChIKey
OHMXCTHUTYFUBL-UHFFFAOYSA-NSynonyms
297157-86-9297157869
3(34dimethoxyphenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)(N+)(=O)(O)
InChI=1SC27H25N3O5c13424111016(1525(24)352)18132226(23(31)1418)27(1765719(1217)30(32)33)2921943820(21)2822h31215182729H1314H212H3
MFCD01988831
STK030189
ZINC000018286107
ZINC000018286117
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