Vitas-M small molecule compound

2-[(5Z)-4-oxo-5-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)pentyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK594319
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCCN1C(=O)c2c(C1=O)cccc2

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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 C25H24N2O5 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O5/c28-17(5-3-10-27-24(29)18-6-1-2-7-19(18)25(27)30)14-21-20-15-23-22(31-11-4-12-32-23)13-16(20)8-9-26-21/h1-2,6-7,13-15,26H,3-5,8-12H2/b21-14-
InChIKey
JVQQQDBJQSRJLR-STZFKDTASA-N
Synonyms
898923-18-7
(Z)2(4oxo5(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)pentyl)isoindoline13dione
2((5Z)4oxo5(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)pentyl)1Hisoindole13(2H)dione
2((5Z)5(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)4oxopentyl)isoindole13dione
898923187
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O)OC1
InChI=1SC25H24N2O5c2817(53102724(29)18612719(18)25(27)30)142120152322(31114123223)1316(20)892621h1267131526H35812H2b2114
MFCD07639875
O=C(C=C1NCCc2c1cc1OCCCOc1c2)CCCN1C(=O)c2c(C1=O)cccc2
ZINC000009129244
ZINC09129244
ZINC9129244

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Available files

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