Vitas-M small molecule compound

1-[1-hydroxy-3,3-dimethyl-11-(2,3,4-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butan-1-one

Catalog ID
STK603350
SMILES CCCC(=O)N1C(C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)c1ccc(c(c1OC)OC)OC

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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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-7-10-23(32)30-20-12-9-8-11-18(20)29-19-15-28(2,3)16-21(31)24(19)25(30)17-13-14-22(33-4)27(35-6)26(17)34-5/h8-9,11-14,25,31H,7,10,15-16H2,1-6H3
InChIKey
YWHSNRIOPOUGQC-UHFFFAOYSA-N
Synonyms

1(1hydroxy33dimethyl11(234trimethoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)butan1one
MFCD08735173
ZINC000102695521
ZINC000102695522

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Available files

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