Vitas-M small molecule compound

methyl 4-(10-hexanoyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate

Catalog ID
STL051945
SMILES CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)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 C29H34N2O4 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O4/c1-5-6-7-12-25(33)31-23-11-9-8-10-21(23)30-22-17-29(2,3)18-24(32)26(22)27(31)19-13-15-20(16-14-19)28(34)35-4/h8-11,13-16,27,32H,5-7,12,17-18H2,1-4H3
InChIKey
JZHYLOSWADYHOP-UHFFFAOYSA-N
Synonyms

methyl4(10hexanoyl1hydroxy33dimethyl341011tetrahydro2Hdibenzo(be)(14)diazepin11yl)benzoate
MFCD05730976
ZINC000102889416
ZINC000102889419

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Available files

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