Vitas-M small molecule compound

methyl N-[2-nitro-4-(trifluoromethyl)phenyl]valinate

Catalog ID
STK857852
SMILES COC(=O)C(C(C)C)Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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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 C13H15F3N2O4 MW 320.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15F3N2O4/c1-7(2)11(12(19)22-3)17-9-5-4-8(13(14,15)16)6-10(9)18(20)21/h4-7,11,17H,1-3H3
InChIKey
XJCPBKXHQMPJSA-UHFFFAOYSA-N
Synonyms
208046-93-9
2(2NITRO4(TRIFLUOROMETHYL)ANILINO)3METHYLBUTYRICACIDMETHYLESTER
208046939
3METHYL2(2NITRO4TRIFLUOROMETHYLPHENYLAMINO)BUTYRICACIDMETHYLESTER
CC(C)C(C(=O)OC)NC1=C(C=C(C=C1)C(F)(F)F)(N+)(=O)(O)
COC(=O)C(C(C)C)Nc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC13H15F3N2O4c17(2)11(12(19)223)179548(13(1415)16)610(9)18(20)21h471117H13H3
METHYL3METHYL2((2NITRO4(TRIFLUOROMETHYL)PHENYL)AMINO)BUTANOATE
METHYL3METHYL2(2NITRO4(TRIFLUOROMETHYL)ANILINO)BUTANOATE
methylN(2nitro4(trifluoromethyl)phenyl)valinate
MFCD00183844
ZINC000004058929
ZINC000004058930

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Available files

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