Vitas-M small molecule compound
6-{[4-(3-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STL504382
SMILES CCOC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1cccc(c1)Cl)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 C22H22ClNO5S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO5S/c1-3-29-22(28)18-17(13-7-6-8-14(23)11-13)12(2)30-20(18)24-19(25)15-9-4-5-10-16(15)21(26)27/h4-8,11,15-16H,3,9-10H2,1-2H3,(H,24,25)(H,26,27)InChIKey
LXUMPILQKAHCPB-UHFFFAOYSA-NSynonyms
17377988
6((4(3chlorophenyl)3(ethoxycarbonyl)5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(3chlorophenyl)3ethoxycarbonyl5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(4(3CHLOROPHENYL)3(ETHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
InChI=1SC22H22ClNO5Sc132922(28)1817(1376814(23)1113)12(2)3020(18)2419(25)159451016(15)21(26)27h48111516H3910H212H3(H2425)(H2627)
MFCD02255276
ZINC000013249732
ZINC000013249738
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