Vitas-M small molecule compound
2-{[4-(4-bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid
Catalog ID
STK744709
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)c1ccccc1C(=O)O
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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 C21H16BrNO5S MW 474.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrNO5S/c1-2-28-21(27)17-16(12-7-9-13(22)10-8-12)11-29-19(17)23-18(24)14-5-3-4-6-15(14)20(25)26/h3-11H,2H2,1H3,(H,23,24)(H,25,26)InChIKey
ZSSVVXQWWRCJQK-UHFFFAOYSA-NSynonyms
312939-81-42((4(4bromophenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)benzoicacid
2((4(4BROMOPHENYL)3ETHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)BENZOICACID
312939814
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3C(=O)O
InChI=1SC21H16BrNO5Sc122821(27)1716(127913(22)10812)112919(17)2318(24)14534615(14)20(25)26h311H2H21H3(H2324)(H2526)
MFCD01955154
ZINC000002812041
ZINC2812041
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