Vitas-M small molecule compound

(2Z)-4-oxo-4-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)but-2-enoic acid

Catalog ID
STK415605
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)/C=C\C(=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 C14H19NO3 MW 249.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO3/c16-12(1-2-13(17)18)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16)(H,17,18)/b2-1-
InChIKey
PEJLLAYEHDKJKZ-UPHRSURJSA-N
Synonyms

(2Z)4oxo4(tricyclo(3311~37~)dec1ylamino)but2enoicacid
(Z)4(1adamantylamino)4oxobut2enoicacid
C1C2CC3CC1CC(C2)(C3)NC(=O)C=CC(=O)O
InChI=1SC14H19NO3c1612(1213(17)18)151469310(714)511(49)814h12911H38H2(H1516)(H1718)b21
MFCD09035744
N(1ADAMANTYL)MALEAMIDICACID
O=C(NC12CC3CC(C2)CC(C1)C3)C=CC(=O)O
ZINC000104133686
ZINC104133686

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Available files

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