Vitas-M small molecule compound

N-(2-cyano-4-nitrophenyl)-L-leucine

Catalog ID
STK617227
SMILES N#Cc1cc(ccc1N[C@H](C(=O)O)CC(C)C)[N+](=O)[O-]

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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 C13H15N3O4 MW 277.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O4/c1-8(2)5-12(13(17)18)15-11-4-3-10(16(19)20)6-9(11)7-14/h3-4,6,8,12,15H,5H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKey
OBWOYZNFAWZXTI-LBPRGKRZSA-N
Synonyms
1004948-01-9
(2S)2(2CYANO4NITROANILINO)4METHYLPENTANOICACID
(S)2((2cyano4nitrophenyl)amino)4methylpentanoicacid
1004948019
CC(C)CC(C(=O)O)NC1=C(C=C(C=C1)(N+)(=O)(O))C#N
InChI=1SC13H15N3O4c18(2)512(13(17)18)15114310(16(19)20)69(11)714h34681215H5H212H3(H1718)t12m0s1
MFCD08285764
N#Cc1cc(ccc1N(C@H)(C(=O)O)CC(C)C)(N+)(=O)(O)
N(2cyano4nitrophenyl)Lleucine
ZINC000006662556
ZINC6662556

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Available files

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