Vitas-M small molecule compound
3-(deca-1,3-diyn-1-yl)benzoic acid
Catalog ID
STK067467
SMILES CCCCCCC#CC#Cc1cccc(c1)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 C17H18O2 MW 254.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18O2/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(14-15)17(18)19/h10,12-14H,2-6H2,1H3,(H,18,19)InChIKey
DWUVRQONHAOUPT-UHFFFAOYSA-NSynonyms
138966-48-0138966480
3(13DECADIYN1YL)BENZOICACID
3(DECA13DIYN1YL)BENZOICACID
3DECA13DIYNYLBENZOICACID
CCCCCCC#CC#CC1=CC(=CC=C1)C(=O)O
CCCCCCC#CC#Cc1cccc(c1)C(=O)O
InChI=1SC17H18O2c123456789111512101316(1415)17(18)19h101214H26H21H3(H1819)
MFCD03032859
STK067467
ZINC000098045061
ZINC98045061
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