Vitas-M small molecule compound

methyl N-[(4-fluorobenzyl)carbamoyl]-D-alaninate

Catalog ID
STK598579
SMILES COC(=O)[C@H](NC(=O)NCc1ccc(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 C12H15FN2O3 MW 254.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15FN2O3/c1-8(11(16)18-2)15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,17)/t8-/m1/s1
InChIKey
KERPLRQYQPKVDY-MRVPVSSYSA-N
Synonyms

(S)methyl2(3(4fluorobenzyl)ureido)propanoate
CC(C(=O)OC)NC(=O)NCC1=CC=C(C=C1)F
COC(=O)(C@@H)(NC(=O)NCc1ccc(cc1)F)C
COC(=O)(C@H)(NC(=O)NCc1ccc(cc1)F)C
InChI=1SC12H15FN2O3c18(11(16)182)1512(17)14793510(13)649h368H7H212H3(H2141517)t8m1s1
METHYL(2R)2((4FLUOROPHENYL)METHYLCARBAMOYLAMINO)PROPANOATE
methylN((4fluorobenzyl)carbamoyl)Dalaninate
MFCD18158557
ZINC000004302102
ZINC04302102
ZINC4302102

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Available files

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