Vitas-M small molecule compound
2-{[3-carbamoyl-5-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK955080
SMILES CCOC(=O)c1sc(c(c1C)C(=O)N)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 C17H22N2O6S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O6S/c1-3-25-17(24)12-8(2)11(13(18)20)15(26-12)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)InChIKey
QKPKTRNDMIOHLJ-UHFFFAOYSA-NSynonyms
2((3carbamoyl5(ethoxycarbonyl)4methylthiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((3CARBAMOYL5ETHOXYCARBONYL4METHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)N)C
InChI=1SC17H22N2O6Sc132517(24)128(2)11(13(18)20)15(2612)1914(21)9645710(9)16(22)23h910H37H212H3(H21820)(H1921)(H2223)
MFCD02053634
ZINC000002095930
ZINC000002095936
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