Vitas-M small molecule compound

methyl 2-{[(3-ethylpent-1-yn-3-yl)carbamoyl]amino}benzoate

Catalog ID
STK480837
SMILES COC(=O)c1ccccc1NC(=O)NC(C#C)(CC)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 C16H20N2O3 MW 288.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3/c1-5-16(6-2,7-3)18-15(20)17-13-11-9-8-10-12(13)14(19)21-4/h1,8-11H,6-7H2,2-4H3,(H2,17,18,20)
InChIKey
YTKBXEMGGGNOIQ-UHFFFAOYSA-N
Synonyms

CCC(CC)(C#C)NC(=O)NC1=CC=CC=C1C(=O)OC
InChI=1SC16H20N2O3c1516(6273)1815(20)171311981012(13)14(19)214h1811H67H224H3(H2171820)
METHYL2((((11DIETHYL2PROPYN1YL)AMINO)CARBONYL)AMINO)BENZOATE
METHYL2(((11DIETHYLPROP2YNYL)AMINO)CARBONYLAMINO)BENZOATE
methyl2(((3ethylpent1yn3yl)carbamoyl)amino)benzoate
METHYL2(3ETHYLPENT1YN3YLCARBAMOYLAMINO)BENZOATE
MFCD04296199
ZINC000006349090
ZINC06349090
ZINC6349090

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Available files

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