Vitas-M small molecule compound
3-(4-fluorophenyl)-11-(3-methoxyphenyl)-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK765172
SMILES COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)F)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 C33H27FN2O3 MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27FN2O3/c1-39-26-11-7-10-23(18-26)32-31-28(19-24(20-30(31)37)21-14-16-25(34)17-15-21)35-27-12-5-6-13-29(27)36(32)33(38)22-8-3-2-4-9-22/h2-18,24,32,35H,19-20H2,1H3InChIKey
KUZAOGPQXKIDEU-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)11(3methoxyphenyl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5benzoyl9(4fluorophenyl)6(3methoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)C6=CC=CC=C6
InChI=1SC33H27FN2O3c139261171023(1826)323128(1924(2030(31)37)21141625(34)171521)352712561329(27)36(32)33(38)228324922h218243235H1920H21H3
MFCD02944536
ZINC000008444374
ZINC000008444383
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