Vitas-M small molecule compound

methyl N-[4-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoyl]tryptophanate

Catalog ID
STL466644
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(N1Cc2c(C1=O)cccc2)CC(C)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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-16(2)12-23(29-15-17-8-4-5-10-20(17)25(29)31)24(30)28-22(26(32)33-3)13-18-14-27-21-11-7-6-9-19(18)21/h4-11,14,16,22-23,27H,12-13,15H2,1-3H3,(H,28,30)
InChIKey
QQWIQRRKEOUHOX-UHFFFAOYSA-N
Synonyms

(S)methyl3(1Hindol3yl)2((S)4methyl2(1oxoisoindolin2yl)pentanamido)propanoate
CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)N3CC4=CC=CC=C4C3=O
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)(C@@H)(N1Cc2c(C1=O)cccc2)CC(C)C
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)C(N1Cc2c(C1=O)cccc2)CC(C)C
InChI=1SC26H29N3O4c116(2)1223(2915178451020(17)25(29)31)24(30)2822(26(32)333)13181427211176919(18)21h4111416222327H121315H213H3(H2830)
methyl3(1Hindol3yl)2((4methyl2(3oxo1Hisoindol2yl)pentanoyl)amino)propanoate
methylN(4methyl2(1oxo13dihydro2Hisoindol2yl)pentanoyl)tryptophanate
MFCD31750907
ZINC000020763510
ZINC000207900372

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Available files

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