Vitas-M small molecule compound
10-acetyl-3-(4-chlorophenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK315997
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)[N+](=O)[O-])C(=O)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 C27H22ClN3O4 MW 487.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4/c1-16(32)30-24-8-3-2-7-22(24)29-23-14-19(17-9-11-20(28)12-10-17)15-25(33)26(23)27(30)18-5-4-6-21(13-18)31(34)35/h2-13,19,27,29H,14-15H2,1H3InChIKey
DKBIUUGVAZOSRV-UHFFFAOYSA-NSynonyms
445243-71-010acetyl3(4chlorophenyl)11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
445243710
5acetyl9(4chlorophenyl)6(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)(N+)(=O)(O))C(=O)C
InChI=1SC27H22ClN3O4c116(32)3024832722(24)29231419(1791120(28)121017)1525(33)26(23)27(30)1854621(1318)31(34)35h213192729H1415H21H3
MFCD02175252
ZINC000001003421
ZINC000001003424
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