Vitas-M small molecule compound
3-[(2,3-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK467757
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1cccc(c1C)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 C16H17NO4 MW 287.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4/c1-8-4-3-5-10(9(8)2)17-15(18)13-11-6-7-12(21-11)14(13)16(19)20/h3-7,11-14H,1-2H3,(H,17,18)(H,19,20)InChIKey
BJWYYOGYFQTPEZ-UHFFFAOYSA-NSynonyms
2((23DIMETHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((23dimethylphenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(23DIMETHYLPHENYLCARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3(N(23DIMETHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=C(C(=CC=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3)C
InChI=1SC16H17NO4c1843510(9(8)2)1715(18)13116712(2111)14(13)16(19)20h371114H12H3(H1718)(H1920)
MFCD02750539
ZINC000169295795
ZINC000239025312
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