Vitas-M small molecule compound

4-[3,3-dimethyl-1-oxo-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile

Catalog ID
STL169433
SMILES N#Cc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)(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 C29H25N3O2 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2/c1-29(2)16-23-26(25(33)17-29)27(20-14-12-19(18-30)13-15-20)32(24-11-7-6-10-22(24)31-23)28(34)21-8-4-3-5-9-21/h3-15,27,31H,16-17H2,1-2H3
InChIKey
ZDMMAPDMIUEIRU-UHFFFAOYSA-N
Synonyms
312621-78-6
312621786
4(10benzoyl33dimethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzonitrile
4(33dimethyl1oxo10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzonitrile
4(5benzoyl99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin6yl)benzonitrile
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N)C(=O)C1)C
InChI=1SC29H25N3O2c129(2)162326(25(33)1729)27(20141219(1830)131520)32(2411761022(24)3123)28(34)218435921h3152731H1617H212H3
MFCD01920280
ZINC000009301155
ZINC000009301157

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Available files

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