Vitas-M small molecule compound
(2E,4Z)-2-cyano-5-(ethylamino)-4-nitropenta-2,4-dienoic acid
Catalog ID
STK665479
SMILES CCN/C=C(\[N+](=O)[O-])/C=C(/C(=O)O)\C#N
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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 C8H9N3O4 MW 211.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H9N3O4/c1-2-10-5-7(11(14)15)3-6(4-9)8(12)13/h3,5,10H,2H2,1H3,(H,12,13)/b6-3+,7-5-InChIKey
IPPAGQJAHUIKOG-MZECIPTHSA-NSynonyms
(2E4Z)2cyano5(ethylamino)4nitropenta24dienoicacid
(2E4Z)2cyano5(ethylazaniumyl)4nitropenta24dienoate
(4Z2E)2CYANO5(ETHYLAMINO)4NITROPENTA24DIENOICACID
CC(NH2+)C=C(C=C(C#N)C(=O)(O))(N+)(=O)(O)
CCNC=C((N+)(=O)(O))C=C(C(=O)O)C#N
InChI=1SC8H9N3O4c121057(11(14)15)36(49)8(12)13h3510H2H21H3(H1213)b63+75
MFCD09063217
ZINC000012411861
ZINC12411861
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