Vitas-M small molecule compound

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

Catalog ID
STK378274
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1c[nH]c2c1cccc2

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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 C27H22ClN3O MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O/c28-18-11-9-16(10-12-18)17-13-24-26(25(32)14-17)27(31-23-8-4-3-7-22(23)30-24)20-15-29-21-6-2-1-5-19(20)21/h1-12,15,17,27,29-31H,13-14H2
InChIKey
SSPBPHSKZQHDGD-UHFFFAOYSA-N
Synonyms

3(4chlorophenyl)11(1Hindol3yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4CHLOROPHENYL)11INDOL3YL234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(4chlorophenyl)6(1Hindol3yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CNC5=CC=CC=C54)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1c(nH)c2c1cccc2
InChI=1SC27H22ClN3Oc281811916(101218)17132426(25(32)1417)27(3123843722(23)3024)20152921621519(20)21h1121517272931H1314H2
MFCD01823636
ZINC000000861251
ZINC000000861254

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Available files

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