Vitas-M small molecule compound
3-(4-methoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK088525
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1[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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-34-17-8-6-15(7-9-17)16-10-21-26(23(31)11-16)27(29-20-5-3-2-4-19(20)28-21)18-12-24-25(36-14-35-24)13-22(18)30(32)33/h2-9,12-13,16,27-29H,10-11,14H2,1H3InChIKey
NPGAAHDIJIJNCV-UHFFFAOYSA-NSynonyms
3(4METHOXYPHENYL)11(6NITRO(2HBENZO(D)13DIOXOLAN5YL))234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4methoxyphenyl)11(6nitro13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methoxyphenyl)6(6nitro13benzodioxol5yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC27H23N3O6c134178615(7917)16102126(23(31)1116)27(2920532419(20)2821)18122425(36143524)1322(18)30(32)33h291213162729H101114H21H3
MFCD01874825
STK088525
ZINC000001107170
ZINC000001107173
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