Vitas-M small molecule compound

N-[(3-methoxyphenyl)carbamoyl]isoleucine

Catalog ID
STL056365
SMILES CCC(C(C(=O)O)NC(=O)Nc1cccc(c1)OC)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 C14H20N2O4 MW 280.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N2O4/c1-4-9(2)12(13(17)18)16-14(19)15-10-6-5-7-11(8-10)20-3/h5-9,12H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKey
MYYQPSOBPGLTMO-UHFFFAOYSA-N
Synonyms

(2S3R)2(3(3methoxyphenyl)ureido)3methylpentanoicacid
2((3METHOXYPHENYL)CARBAMOYLAMINO)3METHYLPENTANOICACID
CCC((C@@H)(C(=O)O)NC(=O)Nc1cccc(c1)OC)C
CCC(C)C(C(=O)O)NC(=O)NC1=CC(=CC=C1)OC
InChI=1SC14H20N2O4c149(2)12(13(17)18)1614(19)151065711(810)203h5912H4H213H3(H1718)(H2151619)
MFCD18192808
N((3methoxyphenyl)carbamoyl)isoleucine
ZINC000005147079
ZINC000015989068

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Available files

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