Vitas-M small molecule compound
11-(6-nitro-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403458
SMILES COc1c(OC)cc(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 C29H27N3O8 MW 545.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O8/c1-36-25-10-16(11-26(37-2)29(25)38-3)15-8-20-27(22(33)9-15)28(31-19-7-5-4-6-18(19)30-20)17-12-23-24(40-14-39-23)13-21(17)32(34)35/h4-7,10-13,15,28,30-31H,8-9,14H2,1-3H3InChIKey
ZKIRJRVAFMAOJR-UHFFFAOYSA-NSynonyms
11(6nitro13benzodioxol5yl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(6nitro13benzodioxol5yl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5(N+)(=O)(O))OCO6)C(=O)C2
COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1(N+)(=O)(O)
InChI=1SC29H27N3O8c136251016(1126(372)29(25)383)1582027(22(33)915)28(3119754618(19)3020)17122324(40143923)1321(17)32(34)35h47101315283031H8914H213H3
MFCD03489300
ZINC000097939687
ZINC000097939690
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