Vitas-M small molecule compound

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

Catalog ID
STK096437
SMILES COc1ccc(c(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1Cl)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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-32-17-11-12-25(33-2)19(15-17)27-26-23(29-21-9-5-6-10-22(21)30-27)13-16(14-24(26)31)18-7-3-4-8-20(18)28/h3-12,15-16,27,29-30H,13-14H2,1-2H3
InChIKey
FCXMYSOIAGWBFT-UHFFFAOYSA-N
Synonyms

11(25DIMETHOXYPHENYL)3(2CHLOROPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(2chlorophenyl)11(25dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(2chlorophenyl)6(25dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=C(C=C1)OC)C2C3=C(CC(CC3=O)C4=CC=CC=C4Cl)NC5=CC=CC=C5N2
COc1ccc(c(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1Cl)OC
InChI=1SC27H25ClN2O3c13217111225(332)19(1517)272623(29219561022(21)3027)1316(1424(26)31)18734820(18)28h3121516272930H1314H212H3
MFCD02188796
STK096437
ZINC000000718075
ZINC000000718078

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Available files

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