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

Catalog ID
STK003941
SMILES O=C1CC(CC2=C1C(N(c1c(N2)cccc1)C(=O)c1cccs1)c1ccccc1Cl)c1ccc(cc1)C(C)(C)C

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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 C34H31ClN2O2S MW 567.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClN2O2S/c1-34(2,3)23-16-14-21(15-17-23)22-19-27-31(29(38)20-22)32(24-9-4-5-10-25(24)35)37(33(39)30-13-8-18-40-30)28-12-7-6-11-26(28)36-27/h4-18,22,32,36H,19-20H2,1-3H3
InChIKey
FKDDPJNBUHNRRE-UHFFFAOYSA-N
Synonyms

3(4(TERTBUTYL)PHENYL)11(2CHLOROPHENYL)10(2THIENYLCARBONYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4(tertbutyl)phenyl)11(2chlorophenyl)10(thiophene2carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4tertbutylphenyl)11(2chlorophenyl)10(thiophen2ylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(2chlorophenyl)5(thiophene2carbonyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CS5)C6=CC=CC=C6Cl)C(=O)C2
InChI=1SC34H31ClN2O2Sc134(23)23161421(151723)22192731(29(38)2022)32(249451025(24)35)37(33(39)30138184030)2812761126(28)3627h418223236H1920H213H3
MFCD03488967
O=C1CC(CC2=C1C(N(c1c(N2)cccc1)C(=O)c1cccs1)c1ccccc1Cl)c1ccc(cc1)C(C)(C)C
STK003941
ZINC000053319492
ZINC000097948405

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Available files

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