Vitas-M small molecule compound
6-{[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK453056
SMILES O=C(C1CC=CCC1C(=O)O)Nc1scc(c1C(=O)N)c1ccc(cc1)Cl
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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 C19H17ClN2O4S MW 404.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O4S/c20-11-7-5-10(6-8-11)14-9-27-18(15(14)16(21)23)22-17(24)12-3-1-2-4-13(12)19(25)26/h1-2,5-9,12-13H,3-4H2,(H2,21,23)(H,22,24)(H,25,26)InChIKey
DIKJZBPRGIMLAY-UHFFFAOYSA-NSynonyms
6((3carbamoyl4(4chlorophenyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(3CARBAMOYL4(4CHLOROPHENYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
C1C=CCC(C1C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N)C(=O)O
InChI=1SC19H17ClN2O4Sc20117510(6811)1492718(15(14)16(21)23)2217(24)12312413(12)19(25)26h12591213H34H2(H22123)(H2224)(H2526)
MFCD02607536
ZINC000004180069
ZINC000004180075
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