Vitas-M small molecule compound
3-{[1-(2,4-dimethylphenyl)ethyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK453322
SMILES O=C(C1C2CCC(C1C(=O)O)O2)NC(c1ccc(cc1C)C)C
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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 C18H23NO4 MW 317.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO4/c1-9-4-5-12(10(2)8-9)11(3)19-17(20)15-13-6-7-14(23-13)16(15)18(21)22/h4-5,8,11,13-16H,6-7H2,1-3H3,(H,19,20)(H,21,22)InChIKey
YNTFPZKHCJCOIL-UHFFFAOYSA-NSynonyms
2(1(24DIMETHYLPHENYL)ETHYLCARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((1(24dimethylphenyl)ethyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N((24DIMETHYLPHENYL)ETHYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=CC(=C(C=C1)C(C)NC(=O)C2C3CCC(C2C(=O)O)O3)C
InChI=1SC18H23NO4c194512(10(2)89)11(3)1917(20)15136714(2313)16(15)18(21)22h458111316H67H213H3(H1920)(H2122)
MFCD03757936
ZINC000239254626
ZINC000239254629
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