Vitas-M small molecule compound

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

Catalog ID
STK032742
SMILES O=C1CC(CC2=C1C(c1ccncc1)N(C(=O)C)c1c(N2)cccc1)c1ccc(cc1)C(C)(C)C

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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 C30H31N3O2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O2/c1-19(34)33-26-8-6-5-7-24(26)32-25-17-22(20-9-11-23(12-10-20)30(2,3)4)18-27(35)28(25)29(33)21-13-15-31-16-14-21/h5-16,22,29,32H,17-18H2,1-4H3
InChIKey
MLASCQDFELZPIC-UHFFFAOYSA-N
Synonyms
523992-68-9
10acetyl3(4(tertbutyl)phenyl)11(pyridin4yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10ACETYL3(4(TERTBUTYL)PHENYL)1OXO11(4PYRIDYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPINE
10acetyl3(4tertbutylphenyl)11(pyridin4yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992689
5acetyl9(4tertbutylphenyl)6pyridin4yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=NC=C5
InChI=1SC30H31N3O2c119(34)3326865724(26)32251722(2091123(121020)30(23)4)1827(35)28(25)29(33)21131531161421h516222932H1718H214H3
MFCD03488976
O=C1CC(CC2=C1C(c1ccncc1)N(C(=O)C)c1c(N2)cccc1)c1ccc(cc1)C(C)(C)C
STK032742
ZINC000018286766
ZINC000018286775

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Available files

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