Vitas-M small molecule compound

2-[(4Z)-4-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-3-oxobutan-2-yl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK592874
SMILES O=C(C(N1C(=O)c2c(C1=O)cccc2)C)/C=C/1\NCCc2c1cc1OCOc1c2

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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 C22H18N2O5 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5/c1-12(24-21(26)14-4-2-3-5-15(14)22(24)27)18(25)10-17-16-9-20-19(28-11-29-20)8-13(16)6-7-23-17/h2-5,8-10,12,23H,6-7,11H2,1H3/b17-10-
InChIKey
NYUFPGSSYIYJHX-YVLHZVERSA-N
Synonyms

(SZ)2(4(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)3oxobutan2yl)isoindoline13dione
2((4Z)4(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)3oxobutan2yl)1Hisoindole13(2H)dione
2((4Z)4(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)3oxobutan2yl)isoindole13dione
CC(C(=O)C=C1C2=CC3=C(C=C2CCN1)OCO3)N4C(=O)C5=CC=CC=C5C4=O
InChI=1SC22H18N2O5c112(2421(26)14423515(14)22(24)27)18(25)10171692019(28112920)813(16)672317h258101223H6711H21H3b1710
MFCD07642764
O=C((C@@H)(N1C(=O)c2c(C1=O)cccc2)C)C=C1NCCc2c1cc1OCOc1c2
O=C(C(N1C(=O)c2c(C1=O)cccc2)C)C=C1NCCc2c1cc1OCOc1c2
ZINC000005487372
ZINC000006661115

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Available files

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