Vitas-M small molecule compound
2-[4-(methylsulfanyl)-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-1-oxobutan-2-yl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK603120
SMILES CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1
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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 C26H28N2O5S MW 480.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5S/c1-16-20-15-23-22(32-11-5-12-33-23)14-17(20)8-10-27(16)26(31)21(9-13-34-2)28-24(29)18-6-3-4-7-19(18)25(28)30/h3-4,6-7,14-16,21H,5,8-13H2,1-2H3InChIKey
VWXCMGOJTFJTKZ-UHFFFAOYSA-NSynonyms
899378-43-92((2S)1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)4(methylthio)1oxobutan2yl)isoindoline13dione
2(1(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)4methylsulfanyl1oxobutan2yl)isoindole13dione
2(4(methylsulfanyl)1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxobutan2yl)1Hisoindole13(2H)dione
899378439
CC1C2=CC3=C(C=C2CCN1C(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O)OCCCO3
CSCC(C@H)(N1C(=O)c2c(C1=O)cccc2)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1
InChI=1SC26H28N2O5Sc11620152322(32115123323)1417(20)81027(16)26(31)21(913342)2824(29)18634719(18)25(28)30h3467141621H5813H212H3
MFCD07643146
ZINC000009130523
ZINC000013592436
Check stock
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Check stock on Vitas-MAvailable files
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