Vitas-M small molecule compound
11-(4-butoxyphenyl)-10-hexanoyl-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL172251
SMILES CCCCCC(=O)N1C(c2ccc(cc2)OCCCC)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccccc1
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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 C35H40N2O3 MW 536.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O3/c1-3-5-8-17-33(39)37-31-16-12-11-15-29(31)36-30-23-27(25-13-9-7-10-14-25)24-32(38)34(30)35(37)26-18-20-28(21-19-26)40-22-6-4-2/h7,9-16,18-21,27,35-36H,3-6,8,17,22-24H2,1-2H3InChIKey
OFOHPAPSTLYCEX-UHFFFAOYSA-NSynonyms
438528-36-011(4butoxyphenyl)10hexanoyl3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438528360
6(4butoxyphenyl)5hexanoyl9phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=C(C=C5)OCCCC
InChI=1SC35H40N2O3c13581733(39)37311612111529(31)36302327(251397101425)2432(38)34(30)35(37)26182028(211926)4022642h79161821273536H368172224H212H3
MFCD01922862
ZINC000008444119
ZINC000008444122
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