Vitas-M small molecule compound

2-[(2R)-4-methyl-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-1-oxopentan-2-yl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK610639
SMILES CC(C[C@@H](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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-16(2)13-22(29-25(30)19-7-4-5-8-20(19)26(29)31)27(32)28-10-9-18-14-23-24(15-21(18)17(28)3)34-12-6-11-33-23/h4-5,7-8,14-17,22H,6,9-13H2,1-3H3/t17?,22-/m1/s1
InChIKey
GCFLLHCAKJAADK-IVAFLUGOSA-N
Synonyms
1214631-61-4
1214631614
2((2R)4methyl1(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)1oxopentan2yl)isoindole13dione
2((2R)4methyl1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxopentan2yl)1Hisoindole13(2H)dione
2((2R)4methyl1(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1oxopentan2yl)isoindoline13dione
CC(C(C@@H)(N1C(=O)c2c(C1=O)cccc2)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)C
CC1C2=CC3=C(C=C2CCN1C(=O)C(CC(C)C)N4C(=O)C5=CC=CC=C5C4=O)OCCCO3
InChI=1SC27H30N2O5c116(2)1322(2925(30)19745820(19)26(29)31)27(32)2810918142324(1521(18)17(28)3)34126113323h4578141722H6913H213H3t17?22m1s1
MFCD10488373
ZINC000009130498
ZINC000013592394

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.