Vitas-M small molecule compound
phenylmethanaminium 5-[(1E)-3-hydroxy-2-methylprop-1-en-1-yl]-2-methylfuran-3-carboxylate
Catalog ID
STK014148
SMILES [NH3+]Cc1ccccc1.OC/C(=C/c1oc(c(c1)C(=O)[O-])C)/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 C17H21NO4 MW 303.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12O4.C7H9N/c1-6(5-11)3-8-4-9(10(12)13)7(2)14-8;8-6-7-4-2-1-3-5-7/h3-4,11H,5H2,1-2H3,(H,12,13);1-5H,6,8H2/b6-3+;InChIKey
KDOIZKWVELGQJZ-ZIKNSQGESA-NSynonyms
(NH3+)Cc1ccccc1OCC(=Cc1oc(c(c1)C(=O)(O))C)C
5((E)3hydroxy2methylprop1enyl)2methylfuran3carboxylicacidphenylmethanamine
CC1=C(C=C(O1)C=C(C)CO)C(=O)OC1=CC=C(C=C1)CN
InChI=1SC10H12O4C7H9Nc16(511)3849(10(12)13)7(2)148867421357h3411H5H212H3(H1213)15H68H2b63+
MFCD02131138
phenylmethanaminium(Z)5(3hydroxy2methylprop1en1yl)2methylfuran3carboxylate
PHENYLMETHANAMINIUM5((1E)3HYDROXY2METHYLPROP1EN1YL)2METHYLFURAN3CARBOXYLATE
STK014148
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