Vitas-M small molecule compound
3-[(2-methoxy-5-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK421613
SMILES COc1ccc(cc1NC(=O)C1C2C=CC(C1C(=O)O)O2)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 C16H17NO5 MW 303.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5/c1-8-3-4-10(21-2)9(7-8)17-15(18)13-11-5-6-12(22-11)14(13)16(19)20/h3-7,11-14H,1-2H3,(H,17,18)(H,19,20)InChIKey
FQOJPAYLDFVNPE-UHFFFAOYSA-NSynonyms
470472-55-02((2METHOXY5METHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2METHOXY5METHYLANILINO)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((2methoxy5methylphenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
470472550
CC1=CC(=C(C=C1)OC)NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC16H17NO5c183410(212)9(78)1715(18)13115612(2211)14(13)16(19)20h371114H12H3(H1718)(H1920)
MFCD01338692
ZINC000169619621
ZINC000239046418
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