Vitas-M small molecule compound
3-{[2-(methylsulfanyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK452323
SMILES CSc1ccccc1NC(=O)C1C2C=CC(C1C(=O)O)O2
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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 C15H15NO4S MW 305.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO4S/c1-21-11-5-3-2-4-8(11)16-14(17)12-9-6-7-10(20-9)13(12)15(18)19/h2-7,9-10,12-13H,1H3,(H,16,17)(H,18,19)InChIKey
SJHBBAFQUSGOOG-UHFFFAOYSA-NSynonyms
2((2METHYLSULFANYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2(METHYLSULFANYL)ANILINO)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((2(methylsulfanyl)phenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(2METHYLTHIOPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CSC1=CC=CC=C1NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC15H15NO4Sc1211153248(11)1614(17)1296710(209)13(12)15(18)19h279101213H1H3(H1617)(H1819)
MFCD03073693
ZINC000169619968
ZINC000239203426
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