Vitas-M small molecule compound

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

Catalog ID
STK050801
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1cccc(c1)[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 C33H35N3O6 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O6/c1-4-5-6-14-31(38)35-27-13-8-7-12-25(27)34-26-18-23(21-10-9-11-24(17-21)36(39)40)19-28(37)32(26)33(35)22-15-16-29(41-2)30(20-22)42-3/h7-13,15-17,20,23,33-34H,4-6,14,18-19H2,1-3H3
InChIKey
WDTNHCDLAXJEON-UHFFFAOYSA-N
Synonyms

11(34dimethoxyphenyl)10hexanoyl3(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(34dimethoxyphenyl)5hexanoyl9(3nitrophenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=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
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC33H35N3O6c14561431(38)352713871225(27)34261823(211091124(1721)36(39)40)1928(37)32(26)33(35)22151629(412)30(2022)423h713151720233334H46141819H213H3
MFCD01943204
STK050801
ZINC000008445107
ZINC000008445110

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Available files

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