Vitas-M small molecule compound
6-{[4-(4-fluorophenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STL504374
SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)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 C21H20FNO5S MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FNO5S/c1-11-16(12-7-9-13(22)10-8-12)17(21(27)28-2)19(29-11)23-18(24)14-5-3-4-6-15(14)20(25)26/h3-4,7-10,14-15H,5-6H2,1-2H3,(H,23,24)(H,25,26)InChIKey
SHCLXHVYOCABKX-UHFFFAOYSA-NSynonyms
17377746
6((4(4fluorophenyl)3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(4fluorophenyl)3methoxycarbonyl5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(4(4FLUOROPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
InChI=1SC21H20FNO5Sc11116(127913(22)10812)17(21(27)282)19(2911)2318(24)14534615(14)20(25)26h347101415H56H212H3(H2324)(H2526)
MFCD02255248
ZINC000006184251
ZINC000006184268
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