Vitas-M small molecule compound
2,2'-hexane-1,6-diylbis[6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione]
Catalog ID
STL290613
SMILES O=c1c2cccc3c2c(c(=O)n1CCCCCCn1c(=O)c2cccc4c2c(c1=O)ccc4N1CCCCC1)ccc3N1CCCCC1
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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 C40H42N4O4 MW 642.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42N4O4/c45-37-29-15-11-13-27-33(41-21-5-3-6-22-41)19-17-31(35(27)29)39(47)43(37)25-9-1-2-10-26-44-38(46)30-16-12-14-28-34(42-23-7-4-8-24-42)20-18-32(36(28)30)40(44)48/h11-20H,1-10,21-26H2InChIKey
MWOTWYCOXBSLFM-UHFFFAOYSA-NSynonyms
2(6(13dioxo6piperidin1ylbenzo(de)isoquinolin2yl)hexyl)6piperidin1ylbenzo(de)isoquinoline13dione
22hexane16diylbis(6(piperidin1yl)1Hbenzo(de)isoquinoline13(2H)dione)
C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCCN5C(=O)C6=C7C(=C(C=C6)N8CCCCC8)C=CC=C7C5=O
InChI=1SC40H42N4O4c4537291511132733(41215362241)191731(35(27)29)39(47)43(37)2591210264438(46)301612142834(42237482442)201832(36(28)30)40(44)48h1120H1102126H2
MFCD24847788
ZINC000097971322
ZINC97971322
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