Vitas-M small molecule compound

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

Catalog ID
STK545475
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)C(C)(C)C)C(=O)C(F)(F)F

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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 C32H31F3N2O3 MW 548.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31F3N2O3/c1-31(2,3)22-13-9-20(10-14-22)29-28-25(17-21(18-27(28)38)19-11-15-23(40-4)16-12-19)36-24-7-5-6-8-26(24)37(29)30(39)32(33,34)35/h5-16,21,29,36H,17-18H2,1-4H3
InChIKey
ACDLALUMAGIOOG-UHFFFAOYSA-N
Synonyms
488734-50-5
11(4(tertbutyl)phenyl)3(4methoxyphenyl)10(222trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4tertbutylphenyl)3(4methoxyphenyl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
488734505
6(4tertbutylphenyl)9(4methoxyphenyl)5(222trifluoroacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2C(=O)C(F)(F)F
InChI=1SC32H31F3N2O3c131(23)2213920(101422)292825(1721(1827(28)38)19111523(404)161219)3624756826(24)37(29)30(39)32(3334)35h516212936H1718H214H3
MFCD03292061
ZINC000097951506
ZINC000097951509

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Available files

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