Vitas-M small molecule compound
3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK082763
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)[N+](=O)[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 C27H25N3O4 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4/c1-16-7-8-18(14-24(16)30(32)33)27-26-23(28-21-5-3-4-6-22(21)29-27)13-19(15-25(26)31)17-9-11-20(34-2)12-10-17/h3-12,14,19,27-29H,13,15H2,1-2H3InChIKey
KXOFSJXBEJOGMY-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)11(4methyl3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4METHOXYPHENYL)11(4METHYL3NITROPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(4methoxyphenyl)6(4methyl3nitrophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)(N+)(=O)(O)
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC27H25N3O4c1167818(1424(16)30(32)33)272623(2821534622(21)2927)1319(1525(26)31)1791120(342)121017h31214192729H1315H212H3
MFCD01655966
STK082763
ZINC000000861117
ZINC000000861120
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