Vitas-M small molecule compound
2-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK449419
SMILES CCOC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc2c1CCCCCCC2
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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 C22H31NO5S MW 421.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO5S/c1-2-28-22(27)18-16-12-6-4-3-5-7-13-17(16)29-20(18)23-19(24)14-10-8-9-11-15(14)21(25)26/h14-15H,2-13H2,1H3,(H,23,24)(H,25,26)InChIKey
SIXQTILVKGYZMI-UHFFFAOYSA-NSynonyms
2((3(ethoxycarbonyl)5678910hexahydro4Hcyclonona(b)thiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((3ethoxycarbonyl5678910hexahydro4Hcyclonona(b)thiophen2yl)carbamoyl)cyclohexane1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C3CCCCC3C(=O)O
InChI=1SC22H31NO5Sc122822(27)181612643571317(16)2920(18)2319(24)1410891115(14)21(25)26h1415H213H21H3(H2324)(H2526)
MFCD03467451
ZINC000002772068
ZINC000002772071
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