Vitas-M small molecule compound

11-(4-butoxyphenyl)-3-phenyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL172231
SMILES CCCCOc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2c(N1C(=O)c1ccccc1)cccc2

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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 C36H34N2O3 MW 542.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N2O3/c1-2-3-22-41-29-20-18-26(19-21-29)35-34-31(23-28(24-33(34)39)25-12-6-4-7-13-25)37-30-16-10-11-17-32(30)38(35)36(40)27-14-8-5-9-15-27/h4-21,28,35,37H,2-3,22-24H2,1H3
InChIKey
KUHFNBIQGOQYCS-UHFFFAOYSA-N
Synonyms
438476-56-3
11(4butoxyphenyl)3phenyl10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438476563
5benzoyl6(4butoxyphenyl)9phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C6=CC=CC=C6
InChI=1SC36H34N2O3c123224129201826(192129)353431(2328(2433(34)39)25126471325)37301610111732(30)38(35)36(40)27148591527h421283537H232224H21H3
MFCD01922853
ZINC000008444103
ZINC000008444106

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Available files

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