Vitas-M small molecule compound

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

Catalog ID
STK056647
SMILES COc1c(OC)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl

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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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-33-24-14-18(15-25(34-2)28(24)35-3)27-26-22(30-20-6-4-5-7-21(20)31-27)12-17(13-23(26)32)16-8-10-19(29)11-9-16/h4-11,14-15,17,27,30-31H,12-13H2,1-3H3
InChIKey
WRYDWHIBPUMGRL-UHFFFAOYSA-N
Synonyms
298686-02-9
298686029
3(4chlorophenyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4chlorophenyl)6(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2
COc1c(OC)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC28H27ClN2O4c133241418(1525(342)28(24)353)272622(3020645721(20)3127)1217(1323(26)32)1681019(29)11916h411141517273031H1213H213H3
MFCD01823632
STK056647
ZINC000000861245
ZINC000000861248

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Available files

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