Vitas-M small molecule compound
4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
Catalog ID
STK019182
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C#N)C(=O)CC(C2)c1ccc(cc1)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 C32H30FN3O2 MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30FN3O2/c1-2-3-4-9-30(38)36-28-8-6-5-7-26(28)35-27-18-24(22-14-16-25(33)17-15-22)19-29(37)31(27)32(36)23-12-10-21(20-34)11-13-23/h5-8,10-17,24,32,35H,2-4,9,18-19H2,1H3InChIKey
HHQBUYJNJNCHOQ-UHFFFAOYSA-NSynonyms
523993-01-34(3(4fluorophenyl)10hexanoyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzonitrile
4(9(4fluorophenyl)5hexanoyl7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzonitrile
523993013
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=C(C=C5)C#N
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C#N)C(=O)CC(C2)c1ccc(cc1)F
InChI=1SC32H30FN3O2c1234930(38)3628865726(28)35271824(22141625(33)171522)1929(37)31(27)32(36)23121021(2034)111323h581017243235H2491819H21H3
MFCD03489003
STK019182
ZINC000018276793
ZINC000018276799
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