Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-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
STK363865
SMILES COc1ccc(cc1OC)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 C28H25N3O7 MW 515.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O7/c1-35-23-8-7-15(11-24(23)36-2)16-9-20-27(22(32)10-16)28(30-19-6-4-3-5-18(19)29-20)17-12-25-26(38-14-37-25)13-21(17)31(33)34/h3-8,11-13,16,28-30H,9-10,14H2,1-2H3InChIKey
NMRUPRKQZFLKFN-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)11(6nitro13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(6nitro13benzodioxol5yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC28H25N3O7c135238715(1124(23)362)1692027(22(32)1016)28(3019643518(19)2920)17122526(38143725)1321(17)31(33)34h381113162830H91014H212H3
MFCD01994611
ZINC000000709736
ZINC000000709739
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