Vitas-M small molecule compound

methyl 4-[3-(4-tert-butylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate

Catalog ID
STK545371
SMILES COC(=O)c1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)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 C31H32N2O3 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O3/c1-31(2,3)23-15-13-19(14-16-23)22-17-26-28(27(34)18-22)29(33-25-8-6-5-7-24(25)32-26)20-9-11-21(12-10-20)30(35)36-4/h5-16,22,29,32-33H,17-18H2,1-4H3
InChIKey
VLILULKVPHHGKL-UHFFFAOYSA-N
Synonyms
488088-48-8
488088488
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)OC)C(=O)C2
InChI=1SC31H32N2O3c131(23)23151319(141623)22172628(27(34)1822)29(3325865724(25)3226)2091121(121020)30(35)364h51622293233H1718H214H3
methyl4(3(4(tertbutyl)phenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(3(4tertbutylphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(9(4tertbutylphenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03287814
ZINC000009019024
ZINC000009020145

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Available files

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