Vitas-M small molecule compound

3-[(3-ethylpent-1-yn-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK480018
SMILES CCC(NC(=O)C1C2CCC(C1C(=O)O)C2)(C#C)CC

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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 C16H23NO3 MW 277.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO3/c1-4-16(5-2,6-3)17-14(18)12-10-7-8-11(9-10)13(12)15(19)20/h1,10-13H,5-9H2,2-3H3,(H,17,18)(H,19,20)
InChIKey
YBUUGWVKKIRGCR-UHFFFAOYSA-N
Synonyms

2(3ethylpent1yn3ylcarbamoyl)bicyclo(221)heptane3carboxylicacid
3((3ethylpent1yn3yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(11DIETHYLPROP2YNYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCC(CC)(C#C)NC(=O)C1C2CCC(C2)C1C(=O)O
InChI=1SC16H23NO3c1416(5263)1714(18)12107811(910)13(12)15(19)20h11013H59H223H3(H1718)(H1920)
MFCD06058819
ZINC000102361427
ZINC000138056712

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Available files

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