Vitas-M small molecule compound
2-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK430205
SMILES CCOC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCC(C2)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 C20H27NO5S MW 393.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5S/c1-3-26-20(25)16-14-9-8-11(2)10-15(14)27-18(16)21-17(22)12-6-4-5-7-13(12)19(23)24/h11-13H,3-10H2,1-2H3,(H,21,22)(H,23,24)InChIKey
KNTLMNCJNFJXAY-UHFFFAOYSA-NSynonyms
2((3(ethoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((3ethoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3CCCCC3C(=O)O
InChI=1SC20H27NO5Sc132620(25)16149811(2)1015(14)2718(16)2117(22)12645713(12)19(23)24h1113H310H212H3(H2122)(H2324)
MFCD01835137
ZINC000005717922
ZINC000017080416
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