Vitas-M small molecule compound
2-[5-(azepan-1-yl)-2-nitrophenyl]-4-methylphthalazin-1(2H)-one
Catalog ID
STK157992
SMILES [O-][N+](=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCCCCC1
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-15-17-8-4-5-9-18(17)21(26)24(22-15)20-14-16(10-11-19(20)25(27)28)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3InChIKey
CQUVPBUCERJYIO-UHFFFAOYSA-NSynonyms
591726-40-8(O)(N+)(=O)c1ccc(cc1n1nc(C)c2c(c1=O)cccc2)N1CCCCCC1
2(5(1AZEPANYL)2NITROPHENYL)4METHYL1(2H)PHTHALAZINONE
2(5(AZEPAN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(AZEPAN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
2(5AZAPERHYDROEPINYL2NITROPHENYL)4METHYL2HYDROPHTHALAZIN1ONE
591726408
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCCCC4)(N+)(=O)(O)
InChI=1SC21H22N4O3c11517845918(17)21(26)24(2215)201416(101119(20)25(27)28)231262371323h4581114H23671213H21H3
MFCD03688581
ZINC000004191785
ZINC04191785
ZINC4191785
Check stock
See real-time availability and sample size for STK157992 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.