Vitas-M small molecule compound
4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK449592
SMILES CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCCCCCCC2
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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 C22H33NO5S MW 423.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO5S/c1-2-28-22(27)20-16-12-10-8-6-4-3-5-7-9-11-13-17(16)29-21(20)23-18(24)14-15-19(25)26/h2-15H2,1H3,(H,23,24)(H,25,26)InChIKey
PUGRHIWSFJDCHB-UHFFFAOYSA-NSynonyms
4((16ethoxycarbonyl14thiabicyclo(1130)hexadeca1(13)15dien15yl)amino)4oxobutanoicacid
4((3(ethoxycarbonyl)567891011121314decahydro4Hcyclotrideca(b)thiophen2yl)amino)4oxobutanoicacid
CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)CCC(=O)O
InChI=1SC22H33NO5Sc122822(27)201612108643579111317(16)2921(20)2318(24)141519(25)26h215H21H3(H2324)(H2526)
MFCD03467267
ZINC000004652246
ZINC4652246
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