Vitas-M small molecule compound
4-[3-(4-chlorophenyl)-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Catalog ID
STK678504
SMILES OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)Cl
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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 C29H24ClN3O6 MW 545.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O6/c30-20-10-8-17(9-11-20)19-15-23-28(25(34)16-19)29(18-4-3-5-21(14-18)33(38)39)32(26(35)12-13-27(36)37)24-7-2-1-6-22(24)31-23/h1-11,14,19,29,31H,12-13,15-16H2,(H,36,37)InChIKey
HRLPTMVMFGNOFG-UHFFFAOYSA-NSynonyms
4(3(4CHLOROPHENYL)11(3NITROPHENYL)1OXO(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4chlorophenyl)11(3nitrophenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4chlorophenyl)6(3nitrophenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC(=CC=C4)(N+)(=O)(O))C(=O)CCC(=O)O)C5=CC=C(C=C5)Cl
InChI=1SC29H24ClN3O6c302010817(91120)19152328(25(34)1619)29(1843521(1418)33(38)39)32(26(35)121327(36)37)24721622(24)3123h11114192931H12131516H2(H3637)
MFCD03134077
OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl
ZINC000001097617
ZINC000001097620
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.