Vitas-M small molecule compound
4-({[(6-carboxycyclohex-3-en-1-yl)carbonyl]amino}methyl)benzoic acid
Catalog ID
STK424968
SMILES O=C(C1CC=CCC1C(=O)O)NCc1ccc(cc1)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 C16H17NO5 MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5/c18-14(12-3-1-2-4-13(12)16(21)22)17-9-10-5-7-11(8-6-10)15(19)20/h1-2,5-8,12-13H,3-4,9H2,(H,17,18)(H,19,20)(H,21,22)InChIKey
KDILGXQBRXISBN-UHFFFAOYSA-NSynonyms
351465-72-0351465720
4((((6carboxycyclohex3en1yl)carbonyl)amino)methyl)benzoicacid
4(((2CARBOXYCYCLOHEX4ENYL)CARBONYLAMINO)METHYL)BENZOICACID
4(((6CARBOXYCYCLOHEX3ENE1CARBONYL)AMINO)METHYL)BENZOICACID
C1C=CCC(C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O
InChI=1SC16H17NO5c1814(12312413(12)16(21)22)179105711(8610)15(19)20h12581213H349H2(H1718)(H1920)(H2122)
MFCD01577348
ZINC000000214754
ZINC000000214767
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