Vitas-M small molecule compound

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

Catalog ID
STK062160
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccnc1)C(=O)CC(C2)c1ccc(c(c1)OC)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 C32H35N3O4 MW 525.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O4/c1-4-5-6-13-30(37)35-26-12-8-7-11-24(26)34-25-17-23(21-14-15-28(38-2)29(19-21)39-3)18-27(36)31(25)32(35)22-10-9-16-33-20-22/h7-12,14-16,19-20,23,32,34H,4-6,13,17-18H2,1-3H3
InChIKey
WCQNWLUMYBCBJD-UHFFFAOYSA-N
Synonyms
523992-73-6
3(34DIMETHOXYPHENYL)10HEXANOYL11(3PYRIDYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(34dimethoxyphenyl)10hexanoyl11(pyridin3yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992736
9(34dimethoxyphenyl)5hexanoyl6pyridin3yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CN=CC=C5
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccnc1)C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC32H35N3O4c14561330(37)352612871124(26)34251723(21141528(382)29(1921)393)1827(36)31(25)32(35)2210916332022h71214161920233234H46131718H213H3
MFCD03488981
STK062160
ZINC000018116275
ZINC000018116284

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Available files

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