Vitas-M small molecule compound
3-[4-(diethylamino)phenyl]-10-hexanoyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL169448
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccccc1)C(=O)CC(C2)c1ccc(cc1)N(CC)CC
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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 C35H41N3O2 MW 535.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O2/c1-4-7-9-18-33(40)38-31-17-13-12-16-29(31)36-30-23-27(25-19-21-28(22-20-25)37(5-2)6-3)24-32(39)34(30)35(38)26-14-10-8-11-15-26/h8,10-17,19-22,27,35-36H,4-7,9,18,23-24H2,1-3H3InChIKey
KWCOWRNANSWYIX-UHFFFAOYSA-NSynonyms
3(4(diethylamino)phenyl)10hexanoyl11phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4(diethylamino)phenyl)5hexanoyl6phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)N(CC)CC)NC4=CC=CC=C41)C5=CC=CC=C5
InChI=1SC35H41N3O2c14791833(40)38311713121629(31)36302327(25192128(222025)37(52)63)2432(39)34(30)35(38)2614108111526h810171922273536H479182324H213H3
MFCD01956362
ZINC000008445101
ZINC000008445106
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