Vitas-M small molecule compound

Catalog ID
STK583999
SMILES CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)F)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 C13H17FN2O3 MW 268.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17FN2O3/c1-3-8(2)11(12(17)18)16-13(19)15-10-6-4-9(14)5-7-10/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,15,16,19)/t8?,11-/m0/s1
InChIKey
RDMXPNRKFPNQAJ-LYNSQETBSA-N
Synonyms
1173680-59-5
(2S)2((4fluorophenyl)carbamoylamino)3methylpentanoicacid
(2S3R)2(3(4fluorophenyl)ureido)3methylpentanoicacid
1173680595
CCC((C@@H)(C(=O)O)NC(=O)Nc1ccc(cc1)F)C
CCC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)F
InChI=1SC13H17FN2O3c138(2)11(12(17)18)1613(19)1510649(14)5710h4811H3H212H3(H1718)(H2151619)t8?11m0s1
MFCD04194694
ZINC000005254311
ZINC000013786761

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Available files

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