Vitas-M small molecule compound

2-[(2R)-3-methyl-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
STK613022
SMILES CC(C(N1C(=O)c2c(C1=O)cccc2)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)C

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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 C26H28N2O5 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5/c1-15(2)23(28-24(29)18-7-4-5-8-19(18)25(28)30)26(31)27-10-9-17-13-21-22(14-20(17)16(27)3)33-12-6-11-32-21/h4-5,7-8,13-16,23H,6,9-12H2,1-3H3
InChIKey
IYGAZHAPPDUUDM-UHFFFAOYSA-N
Synonyms
899378-19-9
2((2R)3methyl1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxobutan2yl)1Hisoindole13(2H)dione
2((2S)3methyl1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxobutan2yl)isoindoline13dione
2(3methyl1(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)1oxobutan2yl)isoindole13dione
899378199
CC1C2=CC3=C(C=C2CCN1C(=O)C(C(C)C)N4C(=O)C5=CC=CC=C5C4=O)OCCCO3
InChI=1SC26H28N2O5c115(2)23(2824(29)18745819(18)25(28)30)26(31)2710917132122(1420(17)16(27)3)33126113221h4578131623H6912H213H3
ZINC000009130511
ZINC000013592415

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Available files

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