Vitas-M small molecule compound
6-{[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STL172687
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1sc(c(n1)c1ccc(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 C20H21FN2O3S MW 388.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2O3S/c1-10-8-15(16(19(25)26)9-11(10)2)18(24)23-20-22-17(12(3)27-20)13-4-6-14(21)7-5-13/h4-7,15-16H,8-9H2,1-3H3,(H,25,26)(H,22,23,24)InChIKey
XZVJWQOWGPKPOJ-UHFFFAOYSA-NSynonyms
438221-95-5(1S6R)6((4(4FLUOROPHENYL)5METHYL13THIAZOL2YL)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
438221955
6(((4(4FLUOROPHENYL)5METHYL13THIAZOL2YL)AMINO)CARBONYL)34DIMETHYL3CYCLOHEXENE1CARBOXYLICACID
6((4(4fluorophenyl)5methyl13thiazol2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(4(4FLUOROPHENYL)5METHYL(13THIAZOL2YL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F)C(=O)O)C
InChI=1SC20H21FN2O3Sc110815(16(19(25)26)911(10)2)18(24)23202217(12(3)2720)134614(21)7513h471516H89H213H3(H2526)(H222324)
MFCD03074567
ZINC000005126511
ZINC000005126520
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