Vitas-M small molecule compound
4-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK430036
SMILES COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCC2
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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 C16H21NO5S MW 339.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO5S/c1-22-16(21)14-10-6-4-2-3-5-7-11(10)23-15(14)17-12(18)8-9-13(19)20/h2-9H2,1H3,(H,17,18)(H,19,20)InChIKey
IUBBUNIICOSHAQ-UHFFFAOYSA-NSynonyms
4((3(methoxycarbonyl)456789hexahydrocycloocta(b)thiophen2yl)amino)4oxobutanoicacid
4((3methoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)amino)4oxobutanoicacid
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCC(=O)O
InChI=1SC16H21NO5Sc12216(21)141064235711(10)2315(14)1712(18)8913(19)20h29H21H3(H1718)(H1920)
MFCD01835623
ZINC000005719944
ZINC5719944
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