Vitas-M small molecule compound
2-[(1Z)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-5-(methylsulfanyl)-2-oxopentan-3-yl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK603255
SMILES CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)/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 C24H22N2O5S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5S/c1-32-9-7-19(26-23(28)15-4-2-3-5-16(15)24(26)29)20(27)12-18-17-11-22-21(30-13-31-22)10-14(17)6-8-25-18/h2-5,10-12,19,25H,6-9,13H2,1H3/b18-12-InChIKey
JRPOWKKUAUSKTB-PDGQHHTCSA-NSynonyms
(SZ)2(1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)5(methylthio)2oxopentan3yl)isoindoline13dione
2((1Z)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)5(methylsulfanyl)2oxopentan3yl)1Hisoindole13(2H)dione
2((1Z)1(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)5methylsulfanyl2oxopentan3yl)isoindole13dione
CSCC(C@H)(N1C(=O)c2c(C1=O)cccc2)C(=O)C=C1NCCc2c1cc1OCOc1c2
CSCCC(C(=O)C=C1C2=CC3=C(C=C2CCN1)OCO3)N4C(=O)C5=CC=CC=C5C4=O
CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)C=C1NCCc2c1cc1OCOc1c2
InChI=1SC24H22N2O5Sc1329719(2623(28)15423516(15)24(26)29)20(27)121817112221(30133122)1014(17)682518h2510121925H6913H21H3b1812
MFCD07642716
ZINC000008994567
ZINC000013592278
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.