Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677946
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)[N+](=O)[O-])C(=O)/C=C/c1ccccc1
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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 C36H31N3O6 MW 601.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O6/c1-44-32-17-16-24(22-33(32)45-2)26-20-29-35(31(40)21-26)36(25-11-8-12-27(19-25)39(42)43)38(30-14-7-6-13-28(30)37-29)34(41)18-15-23-9-4-3-5-10-23/h3-19,22,26,36-37H,20-21H2,1-2H3/b18-15+InChIKey
GMYVIMNYUQORLQ-OBGWFSINSA-NSynonyms
3(34dimethoxyphenyl)11(3nitrophenyl)10((2E)3phenylprop2enoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(3nitrophenyl)5((E)3phenylprop2enoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C=CC5=CC=CC=C5)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)(N+)(=O)(O))C(=O)C=Cc1ccccc1
InChI=1SC36H31N3O6c14432171624(2233(32)452)26202935(31(40)2126)36(251181227(1925)39(42)43)38(3014761328(30)3729)34(41)18152394351023h31922263637H2021H212H3b1815+
MFCD03036123
ZINC000100110070
ZINC000100110082
Check stock
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Check stock on Vitas-MAvailable files
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