Vitas-M small molecule compound
Catalog ID
STK601268
SMILES CCC([C@@H](C(=O)O)Nc1ccc(cc1C#N)[N+](=O)[O-])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 C13H15N3O4 MW 277.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O4/c1-3-8(2)12(13(17)18)15-11-5-4-10(16(19)20)6-9(11)7-14/h4-6,8,12,15H,3H2,1-2H3,(H,17,18)/t8?,12-/m0/s1InChIKey
HZIUGRXFYWXPAZ-MYIOLCAUSA-NSynonyms
(2S)2(2cyano4nitroanilino)3methylpentanoicacid
(2S3R)2((2cyano4nitrophenyl)amino)3methylpentanoicacid
CCC((C@@H)(C(=O)O)Nc1ccc(cc1C#N)(N+)(=O)(O))C
CCC(C)C(C(=O)O)NC1=C(C=C(C=C1)(N+)(=O)(O))C#N
InChI=1SC13H15N3O4c138(2)12(13(17)18)15115410(16(19)20)69(11)714h4681215H3H212H3(H1718)t8?12m0s1
ZINC000006672360
ZINC000013607610
Check stock
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Check stock on Vitas-MAvailable files
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