Vitas-M small molecule compound
2-[(4Z)-3-oxo-4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK572553
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCN1C(=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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c27-16(7-9-26-23(28)17-4-1-2-5-18(17)24(26)29)13-20-19-14-22-21(30-10-3-11-31-22)12-15(19)6-8-25-20/h1-2,4-5,12-14,25H,3,6-11H2/b20-13-InChIKey
PVHQJVXYDJHFOG-MOSHPQCFSA-NSynonyms
892638-64-1(Z)2(3oxo4(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butyl)isoindoline13dione
2((4Z)3oxo4(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butyl)1Hisoindole13(2H)dione
2((4Z)4(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)3oxobutyl)isoindole13dione
892638641
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)CCN4C(=O)C5=CC=CC=C5C4=O)OC1
InChI=1SC24H22N2O5c2716(792623(28)17412518(17)24(26)29)132019142221(30103113122)1215(19)682520h1245121425H3611H2b2013
MFCD07638746
O=C(C=C1NCCc2c1cc1OCCCOc1c2)CCN1C(=O)c2c(C1=O)cccc2
ZINC000005422072
ZINC05422072
ZINC5422072
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