Vitas-M small molecule compound
6-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK423928
SMILES CCOC(=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 C22H22FNO5S MW 431.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FNO5S/c1-3-29-22(28)18-17(13-8-10-14(23)11-9-13)12(2)30-20(18)24-19(25)15-6-4-5-7-16(15)21(26)27/h4-5,8-11,15-16H,3,6-7H2,1-2H3,(H,24,25)(H,26,27)InChIKey
ABVIEQCPXIOJDM-UHFFFAOYSA-NSynonyms
6((3(ethoxycarbonyl)4(4fluorophenyl)5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3ETHOXYCARBONYL4(4FLUOROPHENYL)5METHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(3(ETHOXYCARBONYL)4(4FLUOROPHENYL)5METHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC22H22FNO5Sc132922(28)1817(1381014(23)11913)12(2)3020(18)2419(25)15645716(15)21(26)27h458111516H367H212H3(H2425)(H2627)
MFCD02176314
ZINC000004664781
ZINC000008455753
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