Vitas-M small molecule compound

1-[1-hydroxy-3-(4-methoxyphenyl)-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one

Catalog ID
STK093171
SMILES COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2cccnc2)C(=O)CC(C)C)C1)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 C30H31N3O3 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3/c1-19(2)15-28(35)33-26-9-5-4-8-24(26)32-25-16-22(20-10-12-23(36-3)13-11-20)17-27(34)29(25)30(33)21-7-6-14-31-18-21/h4-14,18-19,22,30,34H,15-17H2,1-3H3
InChIKey
IUAWZHWRSSCMOP-UHFFFAOYSA-N
Synonyms

1(1hydroxy3(4methoxyphenyl)11(pyridin3yl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)3methylbutan1one
COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2cccnc2)C(=O)CC(C)C)C1)O
MFCD03161590
STK093171
ZINC000103896758
ZINC000103896771

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.