Vitas-M small molecule compound
11-(2-ethoxyphenyl)-10-hexanoyl-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL172236
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccccc1OCC)C(=O)CC(C2)c1ccc(cc1)OC
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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 C34H38N2O4 MW 538.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O4/c1-4-6-7-16-32(38)36-29-14-10-9-13-27(29)35-28-21-24(23-17-19-25(39-3)20-18-23)22-30(37)33(28)34(36)26-12-8-11-15-31(26)40-5-2/h8-15,17-20,24,34-35H,4-7,16,21-22H2,1-3H3InChIKey
OAMRIZUYZGDHNX-UHFFFAOYSA-NSynonyms
438476-22-311(2ethoxyphenyl)10hexanoyl3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438476223
6(2ethoxyphenyl)5hexanoyl9(4methoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CC=CC=C5OCC
InChI=1SC34H38N2O4c14671632(38)3629141091327(29)35282124(23171925(393)201823)2230(37)33(28)34(36)26128111531(26)4052h8151720243435H47162122H213H3
MFCD01922766
ZINC000008444060
ZINC000008444063
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