Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK959871
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)sc(c1c1ccc(cc1)F)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 C22H22FNO6S MW 447.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FNO6S/c1-3-29-22(28)18-15(11-4-6-12(23)7-5-11)10(2)31-20(18)24-19(25)16-13-8-9-14(30-13)17(16)21(26)27/h4-7,13-14,16-17H,3,8-9H2,1-2H3,(H,24,25)(H,26,27)InChIKey
URUDGDDQSSVEET-UHFFFAOYSA-NSynonyms
493031-89-32(((3ETHOXYCARBONYL4(4FLUOROPHENYL)5METHYL2THIOPHENYL)AMINO)OXOMETHYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((3CARBETHOXY4(4FLUOROPHENYL)5METHYL2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((3ETHOXYCARBONYL4(4FLUOROPHENYL)5METHYLTHIOPHEN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3(((3(ETHOXYCARBONYL)4(4FLUOROPHENYL)5METHYL2THIENYL)AMINO)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
3((3(ethoxycarbonyl)4(4fluorophenyl)5methylthiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
493031893
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC22H22FNO6Sc132922(28)1815(114612(23)7511)10(2)3120(18)2419(25)16138914(3013)17(16)21(26)27h4713141617H389H212H3(H2425)(H2627)
MFCD02372750
ZINC000136728887
ZINC000245240874
Check stock
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Check stock on Vitas-MAvailable files
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