Vitas-M small molecule compound

methyl N-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)isoleucinate

Catalog ID
STL346384
SMILES CCC(C(C(=O)OC)NC(=O)NC1CCCc2c1cccc2)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 C18H26N2O3 MW 318.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N2O3/c1-4-12(2)16(17(21)23-3)20-18(22)19-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,12,15-16H,4,7,9,11H2,1-3H3,(H2,19,20,22)
InChIKey
RTJRJJAYQDFMTN-UHFFFAOYSA-N
Synonyms

(2S3R)methyl3methyl2(3(1234tetrahydronaphthalen1yl)ureido)pentanoate
CCC((C@@H)(C(=O)OC)NC(=O)NC1CCCc2c1cccc2)C
CCC(C)C(C(=O)OC)NC(=O)NC1CCCC2=CC=CC=C12
InChI=1SC18H26N2O3c1412(2)16(17(21)233)2018(22)19151179138561014(13)15h56810121516H47911H213H3(H2192022)
methyl3methyl2(1234tetrahydronaphthalen1ylcarbamoylamino)pentanoate
methylN(1234tetrahydronaphthalen1ylcarbamoyl)isoleucinate
MFCD28032196
ZINC000006358422
ZINC000245312015

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Available files

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