Vitas-M small molecule compound
2-{[2-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STL343132
SMILES O=C1C(=C(N2CCc3c(C2CN2C(=O)c4c(C2=O)cccc4)cccc3)C(=O)c2c1cccc2)Cl
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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 C28H19ClN2O4 MW 482.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN2O4/c29-23-24(26(33)19-10-4-3-9-18(19)25(23)32)30-14-13-16-7-1-2-8-17(16)22(30)15-31-27(34)20-11-5-6-12-21(20)28(31)35/h1-12,22H,13-15H2InChIKey
KPOVWQOQQLWVRF-UHFFFAOYSA-NSynonyms
396101-30-72((2(3chloro14dioxo14dihydronaphthalen2yl)1234tetrahydroisoquinolin1yl)methyl)1Hisoindole13(2H)dione
2((2(3chloro14dioxo14dihydronaphthalen2yl)1234tetrahydroisoquinolin1yl)methyl)isoindoline13dione
2((2(3CHLORO14DIOXONAPHTHALEN2YL)34DIHYDRO1HISOQUINOLIN1YL)METHYL)ISOINDOLE13DIONE
396101307
C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=C(C(=O)C6=CC=CC=C6C5=O)Cl
InChI=1SC28H19ClN2O4c292324(26(33)191043918(19)25(23)32)30141316712817(16)22(30)153127(34)2011561221(20)28(31)35h11222H1315H2
MFCD02236418
ZINC000002407453
ZINC000002407454
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