Vitas-M small molecule compound

methyl N-{[2-(trifluoromethyl)phenyl]carbamoyl}-L-alaninate

Catalog ID
STK594801
SMILES COC(=O)[C@@H](NC(=O)Nc1ccccc1C(F)(F)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 C12H13F3N2O3 MW 290.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13F3N2O3/c1-7(10(18)20-2)16-11(19)17-9-6-4-3-5-8(9)12(13,14)15/h3-7H,1-2H3,(H2,16,17,19)/t7-/m0/s1
InChIKey
FBAQOTRQOJPXLT-ZETCQYMHSA-N
Synonyms
958947-33-6
(S)methyl2(3(2(trifluoromethyl)phenyl)ureido)propanoate
958947336
CC(C(=O)OC)NC(=O)NC1=CC=CC=C1C(F)(F)F
COC(=O)(C@@H)(NC(=O)Nc1ccccc1C(F)(F)F)C
InChI=1SC12H13F3N2O3c17(10(18)202)1611(19)17964358(9)12(1314)15h37H12H3(H2161719)t7m0s1
METHYL(2S)2((2(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)PROPANOATE
methylN((2(trifluoromethyl)phenyl)carbamoyl)Lalaninate
MFCD04164749
ZINC000000537359
ZINC00537359
ZINC537359

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Available files

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