Vitas-M small molecule compound
3-(2,5-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK407136
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cc(OC)ccc1OC
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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 C29H29N3O7 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O7/c1-4-39-26-14-17(12-23(29(26)34)32(35)36)28-27-22(30-20-7-5-6-8-21(20)31-28)11-16(13-24(27)33)19-15-18(37-2)9-10-25(19)38-3/h5-10,12,14-16,28,30-31,34H,4,11,13H2,1-3H3InChIKey
CEKMQVFCXGHDIJ-UHFFFAOYSA-NSynonyms
3(25dimethoxyphenyl)11(3ethoxy4hydroxy5nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(25DIMETHOXYPHENYL)11(5ETHOXY4HYDROXY3NITROPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(25dimethoxyphenyl)6(3ethoxy4hydroxy5nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=C(C=CC(=C4)OC)OC)NC5=CC=CC=C5N2
CCOc1cc(cc(c1O)(N+)(=O)(O))C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cc(OC)ccc1OC
InChI=1SC29H29N3O7c1439261417(1223(29(26)34)32(35)36)282722(3020756821(20)3128)1116(1324(27)33)191518(372)91025(19)383h51012141628303134H41113H213H3
MFCD06628562
ZINC000059626435
ZINC000059626449
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.