Vitas-M small molecule compound
11-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK070917
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(ccc1Cl)[N+](=O)[O-]
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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 C26H22ClN3O4 MW 475.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4/c1-34-18-9-6-15(7-10-18)16-12-23-25(24(31)13-16)26(29-22-5-3-2-4-21(22)28-23)19-14-17(30(32)33)8-11-20(19)27/h2-11,14,16,26,28-29H,12-13H2,1H3InChIKey
INPCCUYFMCUOJH-UHFFFAOYSA-NSynonyms
11(2chloro5nitrophenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2CHLORO5NITROPHENYL)3(4METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(2chloro5nitrophenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=C(C=CC(=C5)(N+)(=O)(O))Cl)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC26H22ClN3O4c134189615(71018)16122325(24(31)1316)26(2922532421(22)2823)191417(30(32)33)81120(19)27h2111416262829H1213H21H3
MFCD01825158
STK070917
ZINC000000681715
ZINC000000681718
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