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4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid

Catalog ID
STK036540
SMILES OC(=O)CCC(=O)N1C(c2ccc(cc2)C(F)(F)F)C2=C(Nc3c1cccc3)CC(CC2=O)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 C34H33F3N2O4 MW 590.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33F3N2O4/c1-33(2,3)23-12-8-20(9-13-23)22-18-26-31(28(40)19-22)32(21-10-14-24(15-11-21)34(35,36)37)39(29(41)16-17-30(42)43)27-7-5-4-6-25(27)38-26/h4-15,22,32,38H,16-19H2,1-3H3,(H,42,43)
InChIKey
XZDPHIGQWQWYRC-UHFFFAOYSA-N
Synonyms
523992-66-7
4(3(4(TERTBUTYL)PHENYL)1OXO11(4(TRIFLUOROMETHYL)PHENYL)(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4(tertbutyl)phenyl)1oxo11(4(trifluoromethyl)phenyl)34dihydro1Hdibenzo(be)(14)diazepin10(2H5H11H)yl)4oxobutanoicacid
4(3(4tertbutylphenyl)1oxo11(4(trifluoromethyl)phenyl)1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4tertbutylphenyl)7oxo6(4(trifluoromethyl)phenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
523992667
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)C(F)(F)F)C(=O)C2
InChI=1SC34H33F3N2O4c133(23)2312820(91323)22182631(28(40)1922)32(21101424(151121)34(3536)37)39(29(41)161730(42)43)27754625(27)3826h415223238H1619H213H3(H4243)
MFCD03488974
OC(=O)CCC(=O)N1C(c2ccc(cc2)C(F)(F)F)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)C(C)(C)C
STK036540
ZINC000053331903
ZINC000097948656

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Available files

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