Vitas-M small molecule compound
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403358
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
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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/c1-15-7-9-16(10-8-15)17-11-21-25(23(31)13-17)26(29-20-6-4-3-5-19(20)28-21)18-12-22(30(33)34)27(32)24(14-18)35-2/h3-10,12,14,17,26,28-29,32H,11,13H2,1-2H3InChIKey
AMKBJFQNGDZPIJ-UHFFFAOYSA-NSynonyms
11(4hydroxy3methoxy5nitrophenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4hydroxy3methoxy5nitrophenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)OC)O)(N+)(=O)(O))C(=O)C2
COc1cc(cc(c1O)(N+)(=O)(O))C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
InChI=1SC27H25N3O5c1157916(10815)17112125(23(31)1317)26(2920643519(20)2821)181222(30(33)34)27(32)24(1418)352h31012141726282932H1113H212H3
MFCD03489174
ZINC000012447689
ZINC000012447692
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