Vitas-M small molecule compound

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

Catalog ID
STK677945
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)C(=O)OC)C(=O)c1ccccc1

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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 C35H30N2O5 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O5/c1-41-27-18-16-22(17-19-27)26-20-29-32(31(38)21-26)33(23-12-14-25(15-13-23)35(40)42-2)37(30-11-7-6-10-28(30)36-29)34(39)24-8-4-3-5-9-24/h3-19,26,33,36H,20-21H2,1-2H3
InChIKey
GGQPJZBVFPWEKT-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C(=O)C2
InChI=1SC35H30N2O5c14127181622(171927)26202932(31(38)2126)33(23121425(151323)35(40)422)37(3011761028(30)3629)34(39)248435924h319263336H2021H212H3
methyl4(3(4methoxyphenyl)1oxo10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5benzoyl9(4methoxyphenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03036121
ZINC000049918091
ZINC000049918094

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Available files

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