Vitas-M small molecule compound

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

Catalog ID
STK089036
SMILES Clc1ccc(cc1)C1CC(=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 C26H21ClN2O3 MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O3/c27-18-8-5-15(6-9-18)17-11-21-25(22(30)12-17)26(29-20-4-2-1-3-19(20)28-21)16-7-10-23-24(13-16)32-14-31-23/h1-10,13,17,26,28-29H,11-12,14H2
InChIKey
LBSCKXDYZKHMGB-UHFFFAOYSA-N
Synonyms

11(13benzodioxol5yl)3(4chlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(13benzodioxol5yl)9(4chlorophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2
InChI=1SC26H21ClN2O3c27188515(6918)17112125(22(30)1217)26(2920421319(20)2821)167102324(1316)32143123h1101317262829H111214H2
MFCD01872165
STK089036
ZINC000000708838
ZINC000004078870

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Available files

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