Vitas-M small molecule compound

(2Z)-1-(2-phenoxypyridin-3-yl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone

Catalog ID
STK615011
SMILES O=C(c1cccnc1Oc1ccccc1)/C=C/1\NCCc2c1cc1OCCCOc1c2

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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 C25H22N2O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4/c28-22(19-8-4-10-27-25(19)31-18-6-2-1-3-7-18)16-21-20-15-24-23(29-12-5-13-30-24)14-17(20)9-11-26-21/h1-4,6-8,10,14-16,26H,5,9,11-13H2/b21-16-
InChIKey
NGTAJFCPDCDLGQ-PGMHBOJBSA-N
Synonyms
904006-90-2
(2Z)1(2phenoxypyridin3yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1(2phenoxypyridin3yl)ethanone
(Z)1(2phenoxypyridin3yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
904006902
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=C(N=CC=C4)OC5=CC=CC=C5)OC1
InChI=1SC25H22N2O4c2822(1984102725(19)31186213718)162120152423(29125133024)1417(20)9112621h146810141626H591113H2b2116
MFCD08288520
O=C(c1cccnc1Oc1ccccc1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000006755465
ZINC06755465
ZINC6755465

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Available files

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