Vitas-M small molecule compound

10-acetyl-11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL357504
SMILES COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2cccc(c2)[N+](=O)[O-])Nc2c(N1C(=O)C)cccc2

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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 C29H27N3O6 MW 513.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O6/c1-17(33)31-24-10-5-4-9-22(24)30-23-14-20(18-7-6-8-21(13-18)32(35)36)15-25(34)28(23)29(31)19-11-12-26(37-2)27(16-19)38-3/h4-13,16,20,29-30H,14-15H2,1-3H3
InChIKey
VECBMELOEXSNLQ-UHFFFAOYSA-N
Synonyms
362001-05-6
10acetyl11(34dimethoxyphenyl)3(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
362001056
5acetyl6(34dimethoxyphenyl)9(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)(N+)(=O)(O))NC4=CC=CC=C41)C5=CC(=C(C=C5)OC)OC
COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2cccc(c2)(N+)(=O)(O))Nc2c(N1C(=O)C)cccc2
InChI=1SC29H27N3O6c117(33)31241054922(24)30231420(1876821(1318)32(35)36)1525(34)28(23)29(31)19111226(372)27(1619)383h41316202930H1415H213H3
MFCD01951191
ZINC000009059101
ZINC000017028939

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Available files

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