Vitas-M small molecule compound
2-[(4Z)-3-oxo-1-phenyl-4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butan-2-yl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK571554
SMILES O=C(C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)/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 C30H26N2O5 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5/c33-26(18-24-23-17-28-27(36-13-6-14-37-28)16-20(23)11-12-31-24)25(15-19-7-2-1-3-8-19)32-29(34)21-9-4-5-10-22(21)30(32)35/h1-5,7-10,16-18,25,31H,6,11-15H2/b24-18-InChIKey
UWDXDLZFAYZROQ-MOHJPFBDSA-NSynonyms
883952-35-0(Z)2(3oxo1phenyl4(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butan2yl)isoindoline13dione
2((4Z)3oxo1phenyl4(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)butan2yl)1Hisoindole13(2H)dione
2((4Z)4(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)3oxo1phenylbutan2yl)isoindole13dione
883952350
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)OC1
InChI=1SC30H26N2O5c3326(182423172827(36136143728)1620(23)11123124)25(15197213819)3229(34)219451022(21)30(32)35h1571016182531H61115H2b2418
MFCD07639931
O=C(C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000008995573
ZINC000008995574
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.