Vitas-M small molecule compound

11-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK407616
SMILES COc1ccccc1C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2

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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 C27H24N2O4 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4/c1-31-23-9-5-2-6-18(23)17-12-21-26(22(30)13-17)27(29-20-8-4-3-7-19(20)28-21)16-10-11-24-25(14-16)33-15-32-24/h2-11,14,17,27-29H,12-13,15H2,1H3
InChIKey
FRACDMYJQALVPS-UHFFFAOYSA-N
Synonyms

11(13benzodioxol5yl)3(2methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2HBENZO(34D)13DIOXOLEN5YL)3(2METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(13benzodioxol5yl)9(2methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=CC=C1C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)C(=O)C2
InChI=1SC27H24N2O4c13123952618(23)17122126(22(30)1317)27(2920843719(20)2821)1610112425(1416)33153224h21114172729H121315H21H3
MFCD07616890
ZINC000013568662
ZINC000013568665

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Available files

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