Vitas-M small molecule compound
11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK025651
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)OC
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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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-3-37-25-15-18(13-23(28(25)33)31(34)35)27-26-22(29-20-6-4-5-7-21(20)30-27)12-17(14-24(26)32)16-8-10-19(36-2)11-9-16/h4-11,13,15,17,27,29-30,33H,3,12,14H2,1-2H3InChIKey
CSSITDPKQNXPQD-UHFFFAOYSA-NSynonyms
11(3ethoxy4hydroxy5nitrophenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(5ETHOXY4HYDROXY3NITROPHENYL)3(4METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(3ethoxy4hydroxy5nitrophenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2
CCOc1cc(cc(c1O)(N+)(=O)(O))C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC28H27N3O6c1337251518(1323(28(25)33)31(34)35)272622(2920645721(20)3027)1217(1424(26)32)1681019(362)11916h41113151727293033H31214H212H3
MFCD01994617
STK025651
ZINC000019938757
ZINC000019938760
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.