Vitas-M small molecule compound

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

Catalog ID
STK093081
SMILES OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)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 C33H32Cl2N2O4 MW 591.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32Cl2N2O4/c1-33(2,3)21-10-8-19(9-11-21)20-16-26-31(28(38)17-20)32(23-13-12-22(34)18-24(23)35)37(29(39)14-15-30(40)41)27-7-5-4-6-25(27)36-26/h4-13,18,20,32,36H,14-17H2,1-3H3,(H,40,41)
InChIKey
FWLTYWSPPBMUBK-UHFFFAOYSA-N
Synonyms
523992-63-4
4(11(24DICHLOROPHENYL)3(4(TERTBUTYL)PHENYL)1OXO(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4(tertbutyl)phenyl)11(24dichlorophenyl)1oxo34dihydro1Hdibenzo(be)(14)diazepin10(2H5H11H)yl)4oxobutanoicacid
4(3(4tertbutylphenyl)11(24dichlorophenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4tertbutylphenyl)6(24dichlorophenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
523992634
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=C(C=C(C=C5)Cl)Cl)C(=O)C2
InChI=1SC33H32Cl2N2O4c133(23)2110819(91121)20162631(28(38)1720)32(23131222(34)1824(23)35)37(29(39)141530(40)41)27754625(27)3626h41318203236H1417H213H3(H4041)
MFCD03488971
OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
STK093081
ZINC000097948664
ZINC000097948667

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Available files

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